BAS 02496554
TL;DR: BAS 02496554 (CAS 5142-18-7) is a chemical compound with molecular formula C21H16FN3O6S and molecular weight 457.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: BAS 02496554, methyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate, METHYL 2-(4-FLUOROBENZAMIDO)-4-METHYL-5-[(3-NITROPHENYL)CARBAMOYL]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H16FN3O6S |
|---|---|
| Molecular Weight | 457.07 g/mol |
| LogP | 4.39502 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.07437 |
| Heavy Atoms | 32 |
| Complexity | 1222.773 |
Chemical Identifiers
| CAS Number | 5142-18-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 02496554 (CAS 5142-18-7), with molecular formula C21H16FN3O6S and molecular weight 457.07 g/mol. IUPAC: methyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of BAS 02496554
Property Insights of BAS 02496554
The XLogP value of 4.39502 indicates that BAS 02496554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02496554. Following Lipinski's Rule of Five, BAS 02496554 has 2 hydrogen bond donor(s) and 7 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 02496554?
The CAS number of BAS 02496554 is 5142-18-7.
What is the molecular formula of BAS 02496554?
The molecular formula of BAS 02496554 is C21H16FN3O6S.
What is the molecular weight of BAS 02496554?
The molecular weight of BAS 02496554 is 457.07 g/mol.
Where can I buy BAS 02496554?
You can request a quote for BAS 02496554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02496554?
Yes, KEHONG BIO provides custom synthesis services for BAS 02496554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.