BAS 11404311
TL;DR: BAS 11404311 (CAS 890596-96-0) is a chemical compound with molecular formula C20H27ClN4O3S and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
Also Known As: BAS 11404311, 3-(4-chloro-3,5-dimethylpyrazolyl)-1-{4-[(4-methylphenyl)sulfonyl]piperazinyl} butan-1-one, F3230-0012, 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-tosylpiperazin-1-yl)butan-1-one
| Molecular Formula | C20H27ClN4O3S |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 2.94596 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.14923 |
| Heavy Atoms | 29 |
| Complexity | 993.4788 |
Chemical Identifiers
| CAS Number | 890596-96-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C(=C(C(=N3)C)Cl)C |
Product Overview
BAS 11404311 (CAS 890596-96-0), with molecular formula C20H27ClN4O3S and molecular weight 438.15 g/mol. IUPAC: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one.
Chemical Property Profile of BAS 11404311
Property Insights of BAS 11404311
The XLogP value of 2.94596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11404311. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11404311. Following Lipinski's Rule of Five, BAS 11404311 has 0 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 11404311?
The CAS number of BAS 11404311 is 890596-96-0.
What is the molecular formula of BAS 11404311?
The molecular formula of BAS 11404311 is C20H27ClN4O3S.
What is the molecular weight of BAS 11404311?
The molecular weight of BAS 11404311 is 438.15 g/mol.
Where can I buy BAS 11404311?
You can request a quote for BAS 11404311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11404311?
Yes, KEHONG BIO provides custom synthesis services for BAS 11404311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.