BAS 01128320
TL;DR: BAS 01128320 (CAS 1164541-47-2) is a chemical compound with molecular formula C16H15BrN2O3S and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(4-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Also Known As: BAS 01128320, Thiophene-2-carboxylic acid [2-(4-bromo-phenyl)-1-(2-hydroxy-ethylcarbamoyl)-vinyl]-amide, (E)-N-(1-(4-bromophenyl)-3-((2-hydroxyethyl)amino)-3-oxoprop-1-en-2-yl)thiophene-2-carboxamide, N-[(E)-1-(4-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
| Molecular Formula | C16H15BrN2O3S |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.9987 |
| Heavy Atoms | 23 |
| Complexity | 696.62524 |
Chemical Identifiers
| CAS Number | 1164541-47-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCO |
Product Overview
BAS 01128320 (CAS 1164541-47-2), with molecular formula C16H15BrN2O3S and molecular weight 394.00 g/mol. IUPAC: N-[(E)-1-(4-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of BAS 01128320
Property Insights of BAS 01128320
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01128320. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01128320. Following Lipinski's Rule of Five, BAS 01128320 has 3 hydrogen bond donor(s) and 4 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 01128320?
The CAS number of BAS 01128320 is 1164541-47-2.
What is the molecular formula of BAS 01128320?
The molecular formula of BAS 01128320 is C16H15BrN2O3S.
What is the molecular weight of BAS 01128320?
The molecular weight of BAS 01128320 is 394.00 g/mol.
Where can I buy BAS 01128320?
You can request a quote for BAS 01128320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01128320?
Yes, KEHONG BIO provides custom synthesis services for BAS 01128320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.