5-18-12-00223 (Beilstein Handbook Reference)
TL;DR: 5-18-12-00223 (Beilstein Handbook Reference) (CAS 52535-71-4) 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-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: 5-18-12-00223 (Beilstein Handbook Reference), BAS 00545581, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((4-chlorobenzoyl)amino)-, ethyl ester, SBI-0635710.0001, ETHYL 2-(4-CHLOROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-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 | 767.3162 |
Chemical Identifiers
| CAS Number | 52535-71-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
5-18-12-00223 (Beilstein Handbook Reference) (CAS 52535-71-4), with molecular formula C18H18ClNO3S and molecular weight 363.07 g/mol. IUPAC: ethyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of 5-18-12-00223 (Beilstein Handbook Reference)
Property Insights of 5-18-12-00223 (Beilstein Handbook Reference)
The XLogP value of 4.7093 indicates that 5-18-12-00223 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 5-18-12-00223 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-18-12-00223 (Beilstein Handbook Reference) 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 5-18-12-00223 (Beilstein Handbook Reference)?
The CAS number of 5-18-12-00223 (Beilstein Handbook Reference) is 52535-71-4.
What is the molecular formula of 5-18-12-00223 (Beilstein Handbook Reference)?
The molecular formula of 5-18-12-00223 (Beilstein Handbook Reference) is C18H18ClNO3S.
What is the molecular weight of 5-18-12-00223 (Beilstein Handbook Reference)?
The molecular weight of 5-18-12-00223 (Beilstein Handbook Reference) is 363.07 g/mol.
Where can I buy 5-18-12-00223 (Beilstein Handbook Reference)?
You can request a quote for 5-18-12-00223 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-18-12-00223 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-18-12-00223 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.