BAS 04852354
TL;DR: BAS 04852354 (CAS 510722-85-7) is a chemical compound with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
Also Known As: BAS 04852354, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-methylbenzyl)sulfanyl]ethanone, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone, 1-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-2-(4-methyl-benzylsulfanyl)-ethanone, 1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-[(4-methylphenyl)m ethylthio]ethan-1-one
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 3.30132 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 817.0316 |
Chemical Identifiers
| CAS Number | 510722-85-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 04852354 (CAS 510722-85-7), with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone.
Chemical Property Profile of BAS 04852354
Property Insights of BAS 04852354
The XLogP value of 3.30132 indicates that BAS 04852354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, BAS 04852354 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04852354 has 0 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 04852354?
The CAS number of BAS 04852354 is 510722-85-7.
What is the molecular formula of BAS 04852354?
The molecular formula of BAS 04852354 is C22H26N2O3S.
What is the molecular weight of BAS 04852354?
The molecular weight of BAS 04852354 is 398.17 g/mol.
Where can I buy BAS 04852354?
You can request a quote for BAS 04852354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04852354?
Yes, KEHONG BIO provides custom synthesis services for BAS 04852354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.