BAS 00486291
TL;DR: BAS 00486291 (CAS 333399-09-0) is a chemical compound with molecular formula C22H27ClN2O2S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorobenzoyl)amino]-N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00486291, BIM-0008983.P001, 2-[(2-chlorobenzoyl)amino]-N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, {2-[(2-chlorophenyl)carbonylamino](4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)}-N ,N-dipropylcarboxamide, 2-{[(2-chlorophenyl)carbonyl]amino}-N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H27ClN2O2S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 5.7948 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.14816 |
| Heavy Atoms | 28 |
| Complexity | 856.2168 |
Chemical Identifiers
| CAS Number | 333399-09-0 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 00486291 (CAS 333399-09-0), with molecular formula C22H27ClN2O2S and molecular weight 418.15 g/mol. IUPAC: 2-[(2-chlorobenzoyl)amino]-N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00486291
Property Insights of BAS 00486291
The XLogP value of 5.7948 indicates that BAS 00486291 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 00486291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00486291 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00486291?
The CAS number of BAS 00486291 is 333399-09-0.
What is the molecular formula of BAS 00486291?
The molecular formula of BAS 00486291 is C22H27ClN2O2S.
What is the molecular weight of BAS 00486291?
The molecular weight of BAS 00486291 is 418.15 g/mol.
Where can I buy BAS 00486291?
You can request a quote for BAS 00486291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486291?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.