BAS 01128370
TL;DR: BAS 01128370 (CAS 332115-32-9) is a chemical compound with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(2-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Also Known As: BAS 01128370, (2E)-N-(2-methylphenyl)-3-(3-nitrophenyl)-2-(2-thienylcarbonylamino)prop-2-ena mide, (E)-N-(1-(3-nitrophenyl)-3-oxo-3-(o-tolylamino)prop-1-en-2-yl)thiophene-2-carboxamide, N-[(E)-3-(2-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide, Thiophene-2-carboxylic acid [2-(3-nitro-phenyl)-1-o-tolylcarbamoyl-vinyl]-amide
| Molecular Formula | C21H17N3O4S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 4.37432 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.09396 |
| Heavy Atoms | 29 |
| Complexity | 1090.8203 |
Chemical Identifiers
| CAS Number | 332115-32-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 |
Product Overview
BAS 01128370 (CAS 332115-32-9), with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol. IUPAC: N-[(E)-3-(2-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of BAS 01128370
Property Insights of BAS 01128370
The XLogP value of 4.37432 indicates that BAS 01128370 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01128370. Following Lipinski's Rule of Five, BAS 01128370 has 2 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 01128370?
The CAS number of BAS 01128370 is 332115-32-9.
What is the molecular formula of BAS 01128370?
The molecular formula of BAS 01128370 is C21H17N3O4S.
What is the molecular weight of BAS 01128370?
The molecular weight of BAS 01128370 is 407.09 g/mol.
Where can I buy BAS 01128370?
You can request a quote for BAS 01128370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01128370?
Yes, KEHONG BIO provides custom synthesis services for BAS 01128370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.