BAS 04325596
TL;DR: BAS 04325596 (CAS 488086-69-7) is a chemical compound with molecular formula C22H27FN4O4S and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]oxamide
Also Known As: BAS 04325596, AB00303121-02, AO-081/15570021, N'-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]oxamide, N-(3,4-dimethylphenyl)-N'-(2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}ethyl)ethanediamide
| Molecular Formula | C22H27FN4O4S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 1.50374 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1737 |
| Heavy Atoms | 32 |
| Complexity | 1081.6097 |
Chemical Identifiers
| CAS Number | 488086-69-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C |
Product Overview
BAS 04325596 (CAS 488086-69-7), with molecular formula C22H27FN4O4S and molecular weight 462.17 g/mol. IUPAC: N'-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]oxamide.
Chemical Property Profile of BAS 04325596
Property Insights of BAS 04325596
The XLogP value of 1.50374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04325596. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04325596. Following Lipinski's Rule of Five, BAS 04325596 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 04325596?
The CAS number of BAS 04325596 is 488086-69-7.
What is the molecular formula of BAS 04325596?
The molecular formula of BAS 04325596 is C22H27FN4O4S.
What is the molecular weight of BAS 04325596?
The molecular weight of BAS 04325596 is 462.17 g/mol.
Where can I buy BAS 04325596?
You can request a quote for BAS 04325596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04325596?
Yes, KEHONG BIO provides custom synthesis services for BAS 04325596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.