BAS 01538499
TL;DR: BAS 01538499 (CAS 445229-40-3) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
Also Known As: BAS 01538499, N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide, 6-methyl-2-(4-pyridylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carb oxamide, N-(3-CARBAMOYL-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)ISONICOTINAMIDE, N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)isonicotinamide
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.6191 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 724.4922 |
Chemical Identifiers
| CAS Number | 445229-40-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=NC=C3 |
Product Overview
BAS 01538499 (CAS 445229-40-3), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide.
Chemical Property Profile of BAS 01538499
Property Insights of BAS 01538499
The XLogP value of 2.6191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01538499. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01538499. Following Lipinski's Rule of Five, BAS 01538499 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 01538499?
The CAS number of BAS 01538499 is 445229-40-3.
What is the molecular formula of BAS 01538499?
The molecular formula of BAS 01538499 is C16H17N3O2S.
What is the molecular weight of BAS 01538499?
The molecular weight of BAS 01538499 is 315.10 g/mol.
Where can I buy BAS 01538499?
You can request a quote for BAS 01538499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01538499?
Yes, KEHONG BIO provides custom synthesis services for BAS 01538499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.