AB00117680-01
TL;DR: AB00117680-01 (CAS 432011-05-7) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00117680-01, (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-[4-(diethylamino)-2-hydroxybenzylidene]-3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one, 5-[4-(diethylamino)-2-hydroxybenzylidene]-3-(3-pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.0348 |
| Topological Polar Surface Area | 56.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 880.0505 |
Chemical Identifiers
| CAS Number | 432011-05-7 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC3=CN=CC=C3)O |
Product Overview
AB00117680-01 (CAS 432011-05-7), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00117680-01
Property Insights of AB00117680-01
The XLogP value of 4.0348 indicates that AB00117680-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.67 Ų, AB00117680-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00117680-01 has 1 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 AB00117680-01?
The CAS number of AB00117680-01 is 432011-05-7.
What is the molecular formula of AB00117680-01?
The molecular formula of AB00117680-01 is C20H21N3O2S2.
What is the molecular weight of AB00117680-01?
The molecular weight of AB00117680-01 is 399.11 g/mol.
Where can I buy AB00117680-01?
You can request a quote for AB00117680-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117680-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117680-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.