(R)-tert-Butyl (2-hydroxy-2-phenylethyl)(4-nitrophenethyl)carbamate

Name: (R)-tert-Butyl (2-hydroxy-2-phenylethyl)(4-nitrophenethyl)carbamate
SKU: PI223673356
Rating: 5 (1 reviews)

Cat. No.: PI223673356

Product Details Other Identifiers Computed Properties

CAS	223673-35-6
Purity	95%
Molecular Formula	C21H26N2O5
Molecular Weight	386.44
Molar Refractivity	108.94

Pubchem ID	46193353
InChI Key	CZXVZFSVMHLZMY-IBGZPJMESA-N
MDL Number	MFCD18379234

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	10
Topological Polar Surface Area	95.59 Å²
Heavy Atom Count	28
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.38
Log Po/w (iLOGP)	2.76
Log Po/w (XLOGP3)	3.74
Log Po/w (WLOGP)	3.78
Log Po/w (MLOGP)	2.52
Log Po/w (SILICOS-IT)	1.53
Consensus Log Po/w	2.87
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.0 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	3.0
Synthetic Accessibility	3.43

* 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

Verification Code *