BAS 01067337
TL;DR: BAS 01067337 (CAS 499996-93-9) is a chemical compound with molecular formula C20H22N6O6 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide
Also Known As: BAS 01067337, 2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide, N-(3-Nitro-phenyl)-2-{4-[(3-nitro-phenylcarbamoyl)-methyl]-piperazin-1-yl}-acetamide
| Molecular Formula | C20H22N6O6 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 1.6978 |
| Topological Polar Surface Area | 150.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.1601 |
| Heavy Atoms | 32 |
| Complexity | 939.6447 |
Chemical Identifiers
| CAS Number | 499996-93-9 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 01067337 (CAS 499996-93-9), with molecular formula C20H22N6O6 and molecular weight 442.16 g/mol. IUPAC: 2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01067337
Property Insights of BAS 01067337
The XLogP value of 1.6978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01067337. The TPSA of 150.96 Ų indicates high polarity, suggesting BAS 01067337 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01067337 has 2 hydrogen bond donor(s) and 8 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 01067337?
The CAS number of BAS 01067337 is 499996-93-9.
What is the molecular formula of BAS 01067337?
The molecular formula of BAS 01067337 is C20H22N6O6.
What is the molecular weight of BAS 01067337?
The molecular weight of BAS 01067337 is 442.16 g/mol.
Where can I buy BAS 01067337?
You can request a quote for BAS 01067337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01067337?
Yes, KEHONG BIO provides custom synthesis services for BAS 01067337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.