BAS 00846051
TL;DR: BAS 00846051 (CAS 312917-34-3) is a chemical compound with molecular formula C18H18ClNO3S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00846051, ETHYL 2-(3-CHLOROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, F0016-0493, ethyl 2-{[(3-chlorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H18ClNO3S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 4.7093 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.06958 |
| Heavy Atoms | 24 |
| Complexity | 784.5662 |
Chemical Identifiers
| CAS Number | 312917-34-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
BAS 00846051 (CAS 312917-34-3), with molecular formula C18H18ClNO3S and molecular weight 363.07 g/mol. IUPAC: ethyl 2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00846051
Property Insights of BAS 00846051
The XLogP value of 4.7093 indicates that BAS 00846051 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 00846051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00846051 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 00846051?
The CAS number of BAS 00846051 is 312917-34-3.
What is the molecular formula of BAS 00846051?
The molecular formula of BAS 00846051 is C18H18ClNO3S.
What is the molecular weight of BAS 00846051?
The molecular weight of BAS 00846051 is 363.07 g/mol.
Where can I buy BAS 00846051?
You can request a quote for BAS 00846051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00846051?
Yes, KEHONG BIO provides custom synthesis services for BAS 00846051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.