BAS 07537583
TL;DR: BAS 07537583 (CAS 5719-96-0) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-5-[(2,4-dimethylbenzoyl)amino]-3-methylthiophene-2-carboxylate
Also Known As: BAS 07537583, methyl 4-cyano-5-{[(2,4-dimethylphenyl)carbonyl]amino}-3-methylthiophene-2-carboxylate, methyl 4-cyano-5-(2,4-dimethylbenzamido)-3-methylthiophene-2-carboxylate, methyl 4-cyano-5-[(2,4-dimethylbenzoyl)amino]-3-methylthiophene-2-carboxylate
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.58394 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 831.09454 |
Chemical Identifiers
| CAS Number | 5719-96-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C |
Product Overview
BAS 07537583 (CAS 5719-96-0), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: methyl 4-cyano-5-[(2,4-dimethylbenzoyl)amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of BAS 07537583
Property Insights of BAS 07537583
The XLogP value of 3.58394 indicates that BAS 07537583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07537583. Following Lipinski's Rule of Five, BAS 07537583 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 07537583?
The CAS number of BAS 07537583 is 5719-96-0.
What is the molecular formula of BAS 07537583?
The molecular formula of BAS 07537583 is C17H16N2O3S.
What is the molecular weight of BAS 07537583?
The molecular weight of BAS 07537583 is 328.09 g/mol.
Where can I buy BAS 07537583?
You can request a quote for BAS 07537583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07537583?
Yes, KEHONG BIO provides custom synthesis services for BAS 07537583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.