A3561/0151045
TL;DR: A3561/0151045 (CAS 696601-44-2) is a chemical compound with molecular formula C18H16ClN3O3S3 and molecular weight 453.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Also Known As: A3561/0151045, 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone, 1-[3-(BENZENESULFONYL)IMIDAZOLIDIN-1-YL]-2-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)SULFANYL]ETHAN-1-ONE, 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[3-(phenylsulfonyl)imidazolidin-1-yl]ethanone
| Molecular Formula | C18H16ClN3O3S3 |
|---|---|
| Molecular Weight | 453.00 g/mol |
| LogP | 3.5324 |
| Topological Polar Surface Area | 70.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.00424 |
| Heavy Atoms | 28 |
| Complexity | 1118.8112 |
Chemical Identifiers
| CAS Number | 696601-44-2 |
|---|---|
| SMILES | C1CN(CN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
A3561/0151045 (CAS 696601-44-2), with molecular formula C18H16ClN3O3S3 and molecular weight 453.00 g/mol. IUPAC: 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of A3561/0151045
Property Insights of A3561/0151045
The XLogP value of 3.5324 indicates that A3561/0151045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.58 Ų falls within the moderate polarity range, balancing permeability and solubility for A3561/0151045. Following Lipinski's Rule of Five, A3561/0151045 has 0 hydrogen bond donor(s) and 6 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 A3561/0151045?
The CAS number of A3561/0151045 is 696601-44-2.
What is the molecular formula of A3561/0151045?
The molecular formula of A3561/0151045 is C18H16ClN3O3S3.
What is the molecular weight of A3561/0151045?
The molecular weight of A3561/0151045 is 453.00 g/mol.
Where can I buy A3561/0151045?
You can request a quote for A3561/0151045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3561/0151045?
Yes, KEHONG BIO provides custom synthesis services for A3561/0151045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.