J2.033.549A
TL;DR: J2.033.549A (CAS 240127-59-7) is a chemical compound with molecular formula C21H24ClN3OS and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
Also Known As: J2.033.549A, 2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one, 4-[4-(4-Chlorobenzyl)piperazinoacetyl]-3,4-dihydro-2H-1,4-benzothiazine, 2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihydro-benzo[1,4]thiazin-4-yl)-ethanone, 2-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
| Molecular Formula | C21H24ClN3OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.5965 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.13287 |
| Heavy Atoms | 27 |
| Complexity | 790.2687 |
Chemical Identifiers
| CAS Number | 240127-59-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)N3CCSC4=CC=CC=C43 |
Product Overview
J2.033.549A (CAS 240127-59-7), with molecular formula C21H24ClN3OS and molecular weight 401.13 g/mol. IUPAC: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
Chemical Property Profile of J2.033.549A
Property Insights of J2.033.549A
The XLogP value of 3.5965 indicates that J2.033.549A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.79 Ų, J2.033.549A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.033.549A has 0 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 J2.033.549A?
The CAS number of J2.033.549A is 240127-59-7.
What is the molecular formula of J2.033.549A?
The molecular formula of J2.033.549A is C21H24ClN3OS.
What is the molecular weight of J2.033.549A?
The molecular weight of J2.033.549A is 401.13 g/mol.
Where can I buy J2.033.549A?
You can request a quote for J2.033.549A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.033.549A?
Yes, KEHONG BIO provides custom synthesis services for J2.033.549A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.