BAS 04855857
TL;DR: BAS 04855857 (CAS 527703-52-2) is a chemical compound with molecular formula C21H23ClN2O3S and molecular weight 418.11 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-chlorophenyl)sulfanylpropan-1-one
Also Known As: BAS 04855857, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-chlorophenyl)sulfanyl]propan-1-one, 1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-(4-chlorophenylthi o)propan-1-one
| Molecular Formula | C21H23ClN2O3S |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 3.8937 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1118 |
| Heavy Atoms | 28 |
| Complexity | 838.0444 |
Chemical Identifiers
| CAS Number | 527703-52-2 |
|---|---|
| SMILES | CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SC4=CC=C(C=C4)Cl |
Product Overview
BAS 04855857 (CAS 527703-52-2), with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one.
Chemical Property Profile of BAS 04855857
Property Insights of BAS 04855857
The XLogP value of 3.8937 indicates that BAS 04855857 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 04855857 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04855857 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 04855857?
The CAS number of BAS 04855857 is 527703-52-2.
What is the molecular formula of BAS 04855857?
The molecular formula of BAS 04855857 is C21H23ClN2O3S.
What is the molecular weight of BAS 04855857?
The molecular weight of BAS 04855857 is 418.11 g/mol.
Where can I buy BAS 04855857?
You can request a quote for BAS 04855857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04855857?
Yes, KEHONG BIO provides custom synthesis services for BAS 04855857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.