BAS 00239010
TL;DR: BAS 00239010 (CAS 296263-72-4) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00239010, VU0634045-1, F5086-0075, ethyl 2-(1-methyl-1H-pyrazole-5-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(1-methyl-1H-pyrazole-5-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.7894 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 747.8346 |
Chemical Identifiers
| CAS Number | 296263-72-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=NN3C |
Product Overview
BAS 00239010 (CAS 296263-72-4), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: ethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00239010
Property Insights of BAS 00239010
The XLogP value of 2.7894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00239010. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00239010. Following Lipinski's Rule of Five, BAS 00239010 has 1 hydrogen bond donor(s) and 5 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 00239010?
The CAS number of BAS 00239010 is 296263-72-4.
What is the molecular formula of BAS 00239010?
The molecular formula of BAS 00239010 is C16H19N3O3S.
What is the molecular weight of BAS 00239010?
The molecular weight of BAS 00239010 is 333.11 g/mol.
Where can I buy BAS 00239010?
You can request a quote for BAS 00239010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00239010?
Yes, KEHONG BIO provides custom synthesis services for BAS 00239010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.