BAS 00540826
TL;DR: BAS 00540826 (CAS 314023-05-7) is a chemical compound with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00540826, methyl 2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-(3-FLUOROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(3-fluorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(3-fluorophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3 -carboxylate
| Molecular Formula | C17H16FNO3S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0835 |
| Heavy Atoms | 23 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 314023-05-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)F |
| InChIKey | JOTHXCSYVNNPGB-UHFFFAOYSA-N |
Product Overview
BAS 00540826 (CAS 314023-05-7), with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol. IUPAC: methyl 2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00540826
Property Insights of BAS 00540826
The XLogP value of 4.5 indicates that BAS 00540826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00540826. Following Lipinski's Rule of Five, BAS 00540826 has 1 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 BAS 00540826?
The CAS number of BAS 00540826 is 314023-05-7.
What is the molecular formula of BAS 00540826?
The molecular formula of BAS 00540826 is C17H16FNO3S.
What is the molecular weight of BAS 00540826?
The molecular weight of BAS 00540826 is 333.08 g/mol.
Where can I buy BAS 00540826?
You can request a quote for BAS 00540826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00540826?
Yes, KEHONG BIO provides custom synthesis services for BAS 00540826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.