BAS 00727621
TL;DR: BAS 00727621 (CAS 331979-85-2) is a chemical compound with molecular formula C18H15ClN2O2S2 and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: BAS 00727621, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-1-benzothiophene-2-carboxamide, AB00093978-01, F0359-0230, N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-chlorobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C18H15ClN2O2S2 |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | 4.8462 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.02634 |
| Heavy Atoms | 25 |
| Complexity | 1006.08765 |
Chemical Identifiers
| CAS Number | 331979-85-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)N |
Product Overview
BAS 00727621 (CAS 331979-85-2), with molecular formula C18H15ClN2O2S2 and molecular weight 390.03 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 00727621
Property Insights of BAS 00727621
The XLogP value of 4.8462 indicates that BAS 00727621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00727621. Following Lipinski's Rule of Five, BAS 00727621 has 2 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 00727621?
The CAS number of BAS 00727621 is 331979-85-2.
What is the molecular formula of BAS 00727621?
The molecular formula of BAS 00727621 is C18H15ClN2O2S2.
What is the molecular weight of BAS 00727621?
The molecular weight of BAS 00727621 is 390.03 g/mol.
Where can I buy BAS 00727621?
You can request a quote for BAS 00727621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727621?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.