ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate
TL;DR: ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate (CAS 109948-71-2) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate
Also Known As: Maybridge3_000637, IDI1_012024, ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate, 4-ethoxycarbonylamino-1H-1,5-benzodiazepine-3-carbonitrile
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.29568 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 598.90594 |
Chemical Identifiers
| CAS Number | 109948-71-2 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=NC2=CC=CC=C2N1)C#N |
Product Overview
ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate (CAS 109948-71-2), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate.
Chemical Property Profile of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate
Property Insights of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate
The XLogP value of 2.29568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate?
The CAS number of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate is 109948-71-2.
What is the molecular formula of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate?
The molecular formula of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate is C13H12N4O2.
What is the molecular weight of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate?
The molecular weight of ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate is 256.10 g/mol.
Where can I buy ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate?
You can request a quote for ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3-cyano-1H-1,5-benzodiazepin-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.