BAS 06496850
TL;DR: BAS 06496850 (CAS 694476-65-8) is a chemical compound with molecular formula C22H28N2O6S and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
Also Known As: BAS 06496850, VU0494477-1, 1-(4-{3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy}-3-methoxyphenyl)ethan-1-one, 1-(4-{2-hydroxy-3-[4-(phenylsulfonyl)-1-piperazinyl]propoxy}-3-methoxyphenyl)ethanone, 1-[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
| Molecular Formula | C22H28N2O6S |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | 1.644 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.1668 |
| Heavy Atoms | 31 |
| Complexity | 988.3157 |
Chemical Identifiers
| CAS Number | 694476-65-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)O)OC |
Product Overview
BAS 06496850 (CAS 694476-65-8), with molecular formula C22H28N2O6S and molecular weight 448.17 g/mol. IUPAC: 1-[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone.
Chemical Property Profile of BAS 06496850
Property Insights of BAS 06496850
The XLogP value of 1.644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06496850. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06496850. Following Lipinski's Rule of Five, BAS 06496850 has 1 hydrogen bond donor(s) and 7 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 06496850?
The CAS number of BAS 06496850 is 694476-65-8.
What is the molecular formula of BAS 06496850?
The molecular formula of BAS 06496850 is C22H28N2O6S.
What is the molecular weight of BAS 06496850?
The molecular weight of BAS 06496850 is 448.17 g/mol.
Where can I buy BAS 06496850?
You can request a quote for BAS 06496850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06496850?
Yes, KEHONG BIO provides custom synthesis services for BAS 06496850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.