BAS 01217555
TL;DR: BAS 01217555 (CAS 342382-72-3) is a chemical compound with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
Also Known As: BAS 01217555, AE-848/13422024, N-[(E)-3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide, N-{1-[(4-methyl-1-piperazinyl)carbonyl]-2-[4-(methylsulfanyl)phenyl]vinyl}benzamide, (E)-N-(3-(4-methylpiperazin-1-yl)-1-(4-(methylthio)phenyl)-3-oxoprop-1-en-2-yl)benzamide
| Molecular Formula | C22H25N3O2S |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 2.9534 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.16675 |
| Heavy Atoms | 28 |
| Complexity | 841.8454 |
Chemical Identifiers
| CAS Number | 342382-72-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)SC)/NC(=O)C3=CC=CC=C3 |
Product Overview
BAS 01217555 (CAS 342382-72-3), with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol. IUPAC: N-[(E)-3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of BAS 01217555
Property Insights of BAS 01217555
The XLogP value of 2.9534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01217555. With a topological polar surface area (TPSA) of 52.65 Ų, BAS 01217555 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01217555 has 1 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 01217555?
The CAS number of BAS 01217555 is 342382-72-3.
What is the molecular formula of BAS 01217555?
The molecular formula of BAS 01217555 is C22H25N3O2S.
What is the molecular weight of BAS 01217555?
The molecular weight of BAS 01217555 is 395.17 g/mol.
Where can I buy BAS 01217555?
You can request a quote for BAS 01217555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01217555?
Yes, KEHONG BIO provides custom synthesis services for BAS 01217555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.