BAS 01128314
TL;DR: BAS 01128314 (CAS 1164531-02-5) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.12527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Also Known As: BAS 01128314, Thiophene-2-carboxylic acid [1-(azepane-1-carbonyl)-2-(3-nitro-phenyl)-vinyl]-amide, N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide, N-{2-azaperhydroepinyl-1-[(3-nitrophenyl)methylene]-2-oxoethyl}-2-thienylcarbo xamide, N-[(1E)-1-[(Hexahydro-1H-azepin-1-yl)carbonyl]-2-(3-nitrophenyl)ethenyl]-2-thiophenecarboxamide
Technical Specifications
| Molecular Formula | C20H21N3O4S |
| Molecular Weight | 399.12527 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.12527 Da |
| Heavy Atoms | 28 |
| Complexity | 611.0 |
| SMILES | C1CCCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 |
| InChIKey | QHQLGTLGGAHKPM-SAPNQHFASA-N |
Chemical Property Profile of BAS 01128314
Property Insights of BAS 01128314
The XLogP value of 3.9 indicates that BAS 01128314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01128314. Following Lipinski's Rule of Five, BAS 01128314 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
What is the CAS number of BAS 01128314?
The CAS number of BAS 01128314 is 1164531-02-5.
What is the molecular formula of BAS 01128314?
The molecular formula of BAS 01128314 is C20H21N3O4S.
What is the molecular weight of BAS 01128314?
The molecular weight of BAS 01128314 is 399.12527 g/mol.
Where can I buy BAS 01128314?
You can request a quote for BAS 01128314 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 01128314?
Yes, CoreyChem provides custom synthesis services for BAS 01128314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.