A1897/0079648
TL;DR: A1897/0079648 (CAS 5802-05-1) is a chemical compound with molecular formula C26H23N3O2S2 and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
Also Known As: A1897/0079648, N-[2-({2-Oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide, N-[2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
| Molecular Formula | C26H23N3O2S2 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 5.9177 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.12317 |
| Heavy Atoms | 33 |
| Complexity | 1270.7063 |
Chemical Identifiers
| CAS Number | 5802-05-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4 |
Product Overview
A1897/0079648 (CAS 5802-05-1), with molecular formula C26H23N3O2S2 and molecular weight 473.12 g/mol. IUPAC: N-[2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide.
Chemical Property Profile of A1897/0079648
Property Insights of A1897/0079648
The XLogP value of 5.9177 indicates that A1897/0079648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A1897/0079648. Following Lipinski's Rule of Five, A1897/0079648 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1897/0079648?
The CAS number of A1897/0079648 is 5802-05-1.
What is the molecular formula of A1897/0079648?
The molecular formula of A1897/0079648 is C26H23N3O2S2.
What is the molecular weight of A1897/0079648?
The molecular weight of A1897/0079648 is 473.12 g/mol.
Where can I buy A1897/0079648?
You can request a quote for A1897/0079648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1897/0079648?
Yes, KEHONG BIO provides custom synthesis services for A1897/0079648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.