AS-871/41534203
TL;DR: AS-871/41534203 (CAS 315684-60-7) is a chemical compound with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(cyclohexylamino)-3-nitrobenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AS-871/41534203, ethyl 2-[[4-(cyclohexylamino)-3-nitrobenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(4-(cyclohexylamino)-3-nitrobenzamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[4-(cyclohexylamino)-3-nitrobenzamido]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-({4-(cyclohexylamino)-3-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
| Molecular Formula | C22H27N3O5S |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 5.44674 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.16714 |
| Heavy Atoms | 31 |
| Complexity | 995.2728 |
Chemical Identifiers
| CAS Number | 315684-60-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)NC3CCCCC3)[N+](=O)[O-] |
Product Overview
AS-871/41534203 (CAS 315684-60-7), with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol. IUPAC: ethyl 2-[[4-(cyclohexylamino)-3-nitrobenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AS-871/41534203
Property Insights of AS-871/41534203
The XLogP value of 5.44674 indicates that AS-871/41534203 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41534203. Following Lipinski's Rule of Five, AS-871/41534203 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AS-871/41534203?
The CAS number of AS-871/41534203 is 315684-60-7.
What is the molecular formula of AS-871/41534203?
The molecular formula of AS-871/41534203 is C22H27N3O5S.
What is the molecular weight of AS-871/41534203?
The molecular weight of AS-871/41534203 is 445.17 g/mol.
Where can I buy AS-871/41534203?
You can request a quote for AS-871/41534203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41534203?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41534203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.