AB00675642-01
TL;DR: AB00675642-01 (CAS 620585-18-4) is a chemical compound with molecular formula C21H21NO4S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,5-dimethyl-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00675642-01, F1673-6712, METHYL 2-(3,5-DIMETHYL-1-BENZOFURAN-2-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(3,5-dimethylbenzofuran-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(3,5-dimethyl-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H21NO4S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 5.02884 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.11914 |
| Heavy Atoms | 27 |
| Complexity | 1059.9965 |
Chemical Identifiers
| CAS Number | 620585-18-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC |
Product Overview
AB00675642-01 (CAS 620585-18-4), with molecular formula C21H21NO4S and molecular weight 383.12 g/mol. IUPAC: methyl 2-[(3,5-dimethyl-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00675642-01
Property Insights of AB00675642-01
The XLogP value of 5.02884 indicates that AB00675642-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675642-01. Following Lipinski's Rule of Five, AB00675642-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00675642-01?
The CAS number of AB00675642-01 is 620585-18-4.
What is the molecular formula of AB00675642-01?
The molecular formula of AB00675642-01 is C21H21NO4S.
What is the molecular weight of AB00675642-01?
The molecular weight of AB00675642-01 is 383.12 g/mol.
Where can I buy AB00675642-01?
You can request a quote for AB00675642-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675642-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675642-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.