BAS 00486721
TL;DR: BAS 00486721 (CAS 328540-71-2) is a chemical compound with molecular formula C19H21ClN2O2S and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorobenzoyl)amino]-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: BAS 00486721, 2-[(2-Chlorobenzoyl)amino]-5,6,7,8-tetrahydro-N,N-dimethyl-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[(2-chlorobenzoyl)amino]-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-{[(2-chlorophenyl)carbonyl]amino}-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, {2-[(2-chlorophenyl)carbonylamino](4,5,6,7,8-pentahydrocyclohepta[1,2-b]thioph en-3-yl)}-N,N-dimethylcarboxamide
| Molecular Formula | C19H21ClN2O2S |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 4.6245 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.10123 |
| Heavy Atoms | 25 |
| Complexity | 813.7506 |
Chemical Identifiers
| CAS Number | 328540-71-2 |
|---|---|
| SMILES | CN(C)C(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 00486721 (CAS 328540-71-2), with molecular formula C19H21ClN2O2S and molecular weight 376.10 g/mol. IUPAC: 2-[(2-chlorobenzoyl)amino]-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486721
Property Insights of BAS 00486721
The XLogP value of 4.6245 indicates that BAS 00486721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 00486721 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486721 has 1 hydrogen bond donor(s) and 3 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 00486721?
The CAS number of BAS 00486721 is 328540-71-2.
What is the molecular formula of BAS 00486721?
The molecular formula of BAS 00486721 is C19H21ClN2O2S.
What is the molecular weight of BAS 00486721?
The molecular weight of BAS 00486721 is 376.10 g/mol.
Where can I buy BAS 00486721?
You can request a quote for BAS 00486721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486721?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.