AS-871/13835388
TL;DR: AS-871/13835388 (CAS 307326-29-0) is a chemical compound with molecular formula C22H27N3O4S2 and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AS-871/13835388, 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, F1759-0012, 2-[4-(AZEPANE-1-SULFONYL)BENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H27N3O4S2 |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 3.5428 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.1443 |
| Heavy Atoms | 31 |
| Complexity | 1082.7045 |
Chemical Identifiers
| CAS Number | 307326-29-0 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N |
Product Overview
AS-871/13835388 (CAS 307326-29-0), with molecular formula C22H27N3O4S2 and molecular weight 461.14 g/mol. IUPAC: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AS-871/13835388
Property Insights of AS-871/13835388
The XLogP value of 3.5428 indicates that AS-871/13835388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/13835388. Following Lipinski's Rule of Five, AS-871/13835388 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 AS-871/13835388?
The CAS number of AS-871/13835388 is 307326-29-0.
What is the molecular formula of AS-871/13835388?
The molecular formula of AS-871/13835388 is C22H27N3O4S2.
What is the molecular weight of AS-871/13835388?
The molecular weight of AS-871/13835388 is 461.14 g/mol.
Where can I buy AS-871/13835388?
You can request a quote for AS-871/13835388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/13835388?
Yes, KEHONG BIO provides custom synthesis services for AS-871/13835388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.