AB00680379-01
TL;DR: AB00680379-01 (CAS 886918-33-8) is a chemical compound with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00680379-01, F2647-0606, 2-(3-(ethylsulfonyl)benzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[(3-ethylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[3-(ethanesulfonyl)benzamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C19H22N2O4S2 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 3.1618 |
| Topological Polar Surface Area | 106.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1021 |
| Heavy Atoms | 27 |
| Complexity | 993.1337 |
Chemical Identifiers
| CAS Number | 886918-33-8 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N |
Product Overview
AB00680379-01 (CAS 886918-33-8), with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol. IUPAC: 2-[(3-ethylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00680379-01
Property Insights of AB00680379-01
The XLogP value of 3.1618 indicates that AB00680379-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680379-01. Following Lipinski's Rule of Five, AB00680379-01 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 AB00680379-01?
The CAS number of AB00680379-01 is 886918-33-8.
What is the molecular formula of AB00680379-01?
The molecular formula of AB00680379-01 is C19H22N2O4S2.
What is the molecular weight of AB00680379-01?
The molecular weight of AB00680379-01 is 406.10 g/mol.
Where can I buy AB00680379-01?
You can request a quote for AB00680379-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680379-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680379-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.