![benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate structure](/static/products/7322/732271-29-3.webp)
benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate
TL;DR: benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate (CAS 732271-29-3) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate
Also Known As: benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate, benzyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate, benzylN-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.63738 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 731.47015 |
Chemical Identifiers
| CAS Number | 732271-29-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)OCC3=CC=CC=C3 |
Product Overview
benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate (CAS 732271-29-3), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: benzyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate.
Chemical Property Profile of benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate
Property Insights of benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate
The XLogP value of 4.63738 indicates that benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate. Following Lipinski's Rule of Five, benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate has 1 hydrogen bond donor(s) and 4 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 benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate?
The CAS number of benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate is 732271-29-3.
What is the molecular formula of benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate?
The molecular formula of benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate is C18H18N2O2S.
What is the molecular weight of benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate?
The molecular weight of benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate is 326.11 g/mol.
Where can I buy benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate?
You can request a quote for benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-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 benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.