BAS 00720447
TL;DR: BAS 00720447 (CAS 303139-45-9) is a chemical compound with molecular formula C22H19BrN2O4S and molecular weight 486.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-bromobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Also Known As: BAS 00720447, ethyl 5-(anilinocarbonyl)-2-[(4-bromobenzoyl)amino]-4-methyl-3-thiophenecarboxylate, A1495/0065588, ethyl 2-[(4-bromobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate, 2-(4-Bromo-benzoylamino)-4-methyl-5-phenylcarbamoyl-thiophene-3-carboxylic acid
| Molecular Formula | C22H19BrN2O4S |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | 5.50032 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.0249 |
| Heavy Atoms | 30 |
| Complexity | 1078.522 |
Chemical Identifiers
| CAS Number | 303139-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
BAS 00720447 (CAS 303139-45-9), with molecular formula C22H19BrN2O4S and molecular weight 486.02 g/mol. IUPAC: ethyl 2-[(4-bromobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate.
Chemical Property Profile of BAS 00720447
Property Insights of BAS 00720447
The XLogP value of 5.50032 indicates that BAS 00720447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00720447. Following Lipinski's Rule of Five, BAS 00720447 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00720447?
The CAS number of BAS 00720447 is 303139-45-9.
What is the molecular formula of BAS 00720447?
The molecular formula of BAS 00720447 is C22H19BrN2O4S.
What is the molecular weight of BAS 00720447?
The molecular weight of BAS 00720447 is 486.02 g/mol.
Where can I buy BAS 00720447?
You can request a quote for BAS 00720447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00720447?
Yes, KEHONG BIO provides custom synthesis services for BAS 00720447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.