AB00118784-01
TL;DR: AB00118784-01 (CAS 431978-49-3) is a chemical compound with molecular formula C27H22N4O2S2 and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(benzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00118784-01, 2-(benzylamino)-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(benzylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-phenethyl-2-thioxothiazolidin-4-one, 2-(benzylamino)-3-{[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-(benzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H22N4O2S2 |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 4.7505 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.1184 |
| Heavy Atoms | 35 |
| Complexity | 1483.8457 |
Chemical Identifiers
| CAS Number | 431978-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)NCC5=CC=CC=C5)/SC2=S |
Product Overview
AB00118784-01 (CAS 431978-49-3), with molecular formula C27H22N4O2S2 and molecular weight 498.12 g/mol. IUPAC: (5Z)-5-[[2-(benzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00118784-01
Property Insights of AB00118784-01
The XLogP value of 4.7505 indicates that AB00118784-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118784-01. Following Lipinski's Rule of Five, AB00118784-01 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 AB00118784-01?
The CAS number of AB00118784-01 is 431978-49-3.
What is the molecular formula of AB00118784-01?
The molecular formula of AB00118784-01 is C27H22N4O2S2.
What is the molecular weight of AB00118784-01?
The molecular weight of AB00118784-01 is 498.12 g/mol.
Where can I buy AB00118784-01?
You can request a quote for AB00118784-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118784-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118784-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.