A2605/0110714
TL;DR: A2605/0110714 (CAS 447408-97-1) is a chemical compound with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A2605/0110714, ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-(2-CHLORO-4-NITROBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C19H19ClN2O5S |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 5.0076 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.0703 |
| Heavy Atoms | 28 |
| Complexity | 940.64545 |
Chemical Identifiers
| CAS Number | 447408-97-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
A2605/0110714 (CAS 447408-97-1), with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol. IUPAC: ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A2605/0110714
Property Insights of A2605/0110714
The XLogP value of 5.0076 indicates that A2605/0110714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for A2605/0110714. Following Lipinski's Rule of Five, A2605/0110714 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2605/0110714?
The CAS number of A2605/0110714 is 447408-97-1.
What is the molecular formula of A2605/0110714?
The molecular formula of A2605/0110714 is C19H19ClN2O5S.
What is the molecular weight of A2605/0110714?
The molecular weight of A2605/0110714 is 422.07 g/mol.
Where can I buy A2605/0110714?
You can request a quote for A2605/0110714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2605/0110714?
Yes, KEHONG BIO provides custom synthesis services for A2605/0110714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.