BAS 00486396
TL;DR: BAS 00486396 (CAS 329935-34-4) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
Also Known As: BAS 00486396, AE-848/34090027, N-[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide, N-[3-(3-toluidinocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]nicotinamide, N-(3-m-Tolylcarbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-nicotinamide
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 4.83492 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 1027.5161 |
Chemical Identifiers
| CAS Number | 329935-34-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CN=CC=C4 |
Product Overview
BAS 00486396 (CAS 329935-34-4), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: N-[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide.
Chemical Property Profile of BAS 00486396
Property Insights of BAS 00486396
The XLogP value of 4.83492 indicates that BAS 00486396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486396. Following Lipinski's Rule of Five, BAS 00486396 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 00486396?
The CAS number of BAS 00486396 is 329935-34-4.
What is the molecular formula of BAS 00486396?
The molecular formula of BAS 00486396 is C22H21N3O2S.
What is the molecular weight of BAS 00486396?
The molecular weight of BAS 00486396 is 391.14 g/mol.
Where can I buy BAS 00486396?
You can request a quote for BAS 00486396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486396?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.