Biotin-C5-NHS Ester

Name: Biotin-C5-NHS Ester
SKU: PI72040632
Rating: 5 (1 reviews)

Catalog NumberPI72040632

CAS Number72040-63-2

CategoryBlood Products Intermediates

Product Details

Synonyms	2,5-Dioxopyrrolidin-1-yl 6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoate
Purity	98%
Molecular Formula	C20H30N4O6S
Molecular Weight	454.54
Molar Refractivity	125.02

Download COA Download MSDS

Other Identifiers

Pubchem ID	83874
InChI Key	UVGHPGOONBRLCX-NJSLBKSFSA-N
MDL Number	MFCD00065502

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.06
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	1.0
Fraction Csp3	0.75
Ghose	None
GI Absorption	Low
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6.0
Hydrogen Bond Donor Count	3.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-9.01 cm/s
Log Po/w (iLOGP)	2.64
Log Po/w (MLOGP)	1.1
Log Po/w (SILICOS-IT)	1.64
Log Po/w (WLOGP)	-0.15
Log Po/w (XLOGP3)	0.09
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	14
Synthetic Accessibility	4.75
Topological Polar Surface Area	159.21 Å²
Veber	2.0

* Our products are for research use only.

Get in Touch

We're glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description