BAS 11403994
TL;DR: BAS 11403994 (CAS 161972-24-3) is a chemical compound with molecular formula C21H30N2O3S and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
Also Known As: BAS 11403994, 7,7-Dimethyl-1-(4-o-tolyl-piperazine-1-sulfonylmethyl)-bicyclo[2.2.1]heptan-2-one, AP-263/43241301, BRD-A53071993-001-07-8, 7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
| Molecular Formula | C21H30N2O3S |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 2.84222 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.19772 |
| Heavy Atoms | 27 |
| Complexity | 855.9326 |
Chemical Identifiers
| CAS Number | 161972-24-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4=O |
Product Overview
BAS 11403994 (CAS 161972-24-3), with molecular formula C21H30N2O3S and molecular weight 390.20 g/mol. IUPAC: 7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of BAS 11403994
Property Insights of BAS 11403994
The XLogP value of 2.84222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11403994. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 11403994 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11403994 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 11403994?
The CAS number of BAS 11403994 is 161972-24-3.
What is the molecular formula of BAS 11403994?
The molecular formula of BAS 11403994 is C21H30N2O3S.
What is the molecular weight of BAS 11403994?
The molecular weight of BAS 11403994 is 390.20 g/mol.
Where can I buy BAS 11403994?
You can request a quote for BAS 11403994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11403994?
Yes, KEHONG BIO provides custom synthesis services for BAS 11403994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.