A2566/0109342
TL;DR: A2566/0109342 (CAS 362602-81-1) is a chemical compound with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2566/0109342, methyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-(2-CHLORO-5-NITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H15ClN2O5S |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 4.2274 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.03903 |
| Heavy Atoms | 26 |
| Complexity | 908.79846 |
Chemical Identifiers
| CAS Number | 362602-81-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
A2566/0109342 (CAS 362602-81-1), with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol. IUPAC: methyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2566/0109342
Property Insights of A2566/0109342
The XLogP value of 4.2274 indicates that A2566/0109342 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 A2566/0109342. Following Lipinski's Rule of Five, A2566/0109342 has 1 hydrogen bond donor(s) and 6 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 A2566/0109342?
The CAS number of A2566/0109342 is 362602-81-1.
What is the molecular formula of A2566/0109342?
The molecular formula of A2566/0109342 is C17H15ClN2O5S.
What is the molecular weight of A2566/0109342?
The molecular weight of A2566/0109342 is 394.04 g/mol.
Where can I buy A2566/0109342?
You can request a quote for A2566/0109342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2566/0109342?
Yes, KEHONG BIO provides custom synthesis services for A2566/0109342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.