BAS 00510589
TL;DR: BAS 00510589 (CAS 312703-94-9) is a chemical compound with molecular formula C20H18ClNO3S2 and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00510589, methyl 2-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(3-chlorobenzo[b]thiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetra hydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H18ClNO3S2 |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 5.7799 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.04166 |
| Heavy Atoms | 27 |
| Complexity | 1053.1051 |
Chemical Identifiers
| CAS Number | 312703-94-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
BAS 00510589 (CAS 312703-94-9), with molecular formula C20H18ClNO3S2 and molecular weight 419.04 g/mol. IUPAC: methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00510589
Property Insights of BAS 00510589
The XLogP value of 5.7799 indicates that BAS 00510589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00510589 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00510589 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 BAS 00510589?
The CAS number of BAS 00510589 is 312703-94-9.
What is the molecular formula of BAS 00510589?
The molecular formula of BAS 00510589 is C20H18ClNO3S2.
What is the molecular weight of BAS 00510589?
The molecular weight of BAS 00510589 is 419.04 g/mol.
Where can I buy BAS 00510589?
You can request a quote for BAS 00510589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00510589?
Yes, KEHONG BIO provides custom synthesis services for BAS 00510589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.