tert-Butyl 1H-pyrrole-1-carboxylate

Name: tert-Butyl 1H-pyrrole-1-carboxylate
SKU: PI5176272
Rating: 5 (1 reviews)

Catalog NumberPI5176272

CAS Number5176-27-2

CategoryAntineoplastics Intermediates

Product Details

Purity	95%
Molecular Formula	C9H13NO2
Molecular Weight	167.21
Molar Refractivity	46.63

Download COA Download MSDS

Other Identifiers

Pubchem ID	643494
InChI Key	IZPYBIJFRFWRPR-UHFFFAOYSA-N
MDL Number	MFCD00209559

Computed Properties

Aromatic Heavy Atoms Number	5
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.8
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.44
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.95 cm/s
Log Po/w (iLOGP)	2.52
Log Po/w (MLOGP)	1.43
Log Po/w (SILICOS-IT)	0.87
Log Po/w (WLOGP)	2.27
Log Po/w (XLOGP3)	1.93
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.74
Topological Polar Surface Area	31.23 Å²
Veber	0.0

* 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