A1353/0061100
TL;DR: A1353/0061100 (CAS 311765-45-4) is a chemical compound with molecular formula C28H27N3O2S2 and molecular weight 501.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
Also Known As: A1353/0061100, N-(2-((2-((2,6-diethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)cinnamamide, (2E)-N-(2-{[N-(2,6-diethylphenyl)carbamoyl]methylthio}benzothiazol-6-yl)-3-phe nylprop-2-enamide, (2E)-N-[2-({[(2,6-DIETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3-BENZOTHIAZOL-6-YL]-3-PHENYLPROP-2-ENAMIDE, (2E)-N-[2-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide
| Molecular Formula | C28H27N3O2S2 |
|---|---|
| Molecular Weight | 501.15 g/mol |
| LogP | 6.8038 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.15448 |
| Heavy Atoms | 35 |
| Complexity | 1341.1525 |
Chemical Identifiers
| CAS Number | 311765-45-4 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
A1353/0061100 (CAS 311765-45-4), with molecular formula C28H27N3O2S2 and molecular weight 501.15 g/mol. IUPAC: (E)-N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide.
Chemical Property Profile of A1353/0061100
Property Insights of A1353/0061100
The XLogP value of 6.8038 indicates that A1353/0061100 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 A1353/0061100. Following Lipinski's Rule of Five, A1353/0061100 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 A1353/0061100?
The CAS number of A1353/0061100 is 311765-45-4.
What is the molecular formula of A1353/0061100?
The molecular formula of A1353/0061100 is C28H27N3O2S2.
What is the molecular weight of A1353/0061100?
The molecular weight of A1353/0061100 is 501.15 g/mol.
Where can I buy A1353/0061100?
You can request a quote for A1353/0061100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1353/0061100?
Yes, KEHONG BIO provides custom synthesis services for A1353/0061100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.