BAS 02500559
TL;DR: BAS 02500559 (CAS 441314-71-2) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methanone
Also Known As: BAS 02500559, BIM-0040728.P001, 1-(3,4-dimethoxybenzoyl)-4-[4-(methylsulfanyl)benzyl]piperazine, (3,4-dimethoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methanone, (3,4-dimethoxyphenyl){4-[4-(methylsulfanyl)benzyl]piperazin-1-yl}methanone
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 3.3837 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 771.4962 |
Chemical Identifiers
| CAS Number | 441314-71-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC)OC |
Product Overview
BAS 02500559 (CAS 441314-71-2), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: (3,4-dimethoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methanone.
Chemical Property Profile of BAS 02500559
Property Insights of BAS 02500559
The XLogP value of 3.3837 indicates that BAS 02500559 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 02500559 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02500559 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 02500559?
The CAS number of BAS 02500559 is 441314-71-2.
What is the molecular formula of BAS 02500559?
The molecular formula of BAS 02500559 is C21H26N2O3S.
What is the molecular weight of BAS 02500559?
The molecular weight of BAS 02500559 is 386.17 g/mol.
Where can I buy BAS 02500559?
You can request a quote for BAS 02500559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02500559?
Yes, KEHONG BIO provides custom synthesis services for BAS 02500559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.