BAS 00486301
TL;DR: BAS 00486301 (CAS 333399-10-3) is a chemical compound with molecular formula C18H19ClN2O2S and molecular weight 362.09 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-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00486301, 2-[(2-chlorobenzoyl)amino]-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2-chlorophenyl)carbonyl]amino}-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C18H19ClN2O2S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.2344 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.08557 |
| Heavy Atoms | 24 |
| Complexity | 798.3116 |
Chemical Identifiers
| CAS Number | 333399-10-3 |
|---|---|
| SMILES | CN(C)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 00486301 (CAS 333399-10-3), with molecular formula C18H19ClN2O2S and molecular weight 362.09 g/mol. IUPAC: 2-[(2-chlorobenzoyl)amino]-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00486301
Property Insights of BAS 00486301
The XLogP value of 4.2344 indicates that BAS 00486301 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 00486301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486301 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 00486301?
The CAS number of BAS 00486301 is 333399-10-3.
What is the molecular formula of BAS 00486301?
The molecular formula of BAS 00486301 is C18H19ClN2O2S.
What is the molecular weight of BAS 00486301?
The molecular weight of BAS 00486301 is 362.09 g/mol.
Where can I buy BAS 00486301?
You can request a quote for BAS 00486301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486301?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.