BAS 00540866
TL;DR: BAS 00540866 (CAS 5537-95-1) is a chemical compound with molecular formula C18H18FNO3S and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00540866, BIM-0023128.P001, methyl 2-[(3-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-[(3-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester, 2-[[(3-fluorophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
| Molecular Formula | C18H18FNO3S |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 4.0509 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.09915 |
| Heavy Atoms | 24 |
| Complexity | 799.5567 |
Chemical Identifiers
| CAS Number | 5537-95-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)F |
Product Overview
BAS 00540866 (CAS 5537-95-1), with molecular formula C18H18FNO3S and molecular weight 347.10 g/mol. IUPAC: methyl 2-[(3-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00540866
Property Insights of BAS 00540866
The XLogP value of 4.0509 indicates that BAS 00540866 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 00540866 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00540866 has 1 hydrogen bond donor(s) and 4 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 BAS 00540866?
The CAS number of BAS 00540866 is 5537-95-1.
What is the molecular formula of BAS 00540866?
The molecular formula of BAS 00540866 is C18H18FNO3S.
What is the molecular weight of BAS 00540866?
The molecular weight of BAS 00540866 is 347.10 g/mol.
Where can I buy BAS 00540866?
You can request a quote for BAS 00540866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00540866?
Yes, KEHONG BIO provides custom synthesis services for BAS 00540866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.