AB00116905-01
TL;DR: AB00116905-01 (CAS 431926-45-3) is a chemical compound with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(2-methylpropyl)-5-[[4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00116905-01, 2-(allylamino)-3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-(2-methylpropyl)-5-[[4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(2-METHYLPROPYL)-5-({4-OXO-2-[(PROP-2-EN-1-YL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-5-((2-(allylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one
| Molecular Formula | C19H20N4O2S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.1496 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.10278 |
| Heavy Atoms | 27 |
| Complexity | 1010.427 |
Chemical Identifiers
| CAS Number | 431926-45-3 |
|---|---|
| SMILES | CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC=C)/SC1=S |
Product Overview
AB00116905-01 (CAS 431926-45-3), with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol. IUPAC: (5Z)-3-(2-methylpropyl)-5-[[4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00116905-01
Property Insights of AB00116905-01
The XLogP value of 3.1496 indicates that AB00116905-01 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 AB00116905-01. Following Lipinski's Rule of Five, AB00116905-01 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 AB00116905-01?
The CAS number of AB00116905-01 is 431926-45-3.
What is the molecular formula of AB00116905-01?
The molecular formula of AB00116905-01 is C19H20N4O2S2.
What is the molecular weight of AB00116905-01?
The molecular weight of AB00116905-01 is 400.10 g/mol.
Where can I buy AB00116905-01?
You can request a quote for AB00116905-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116905-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116905-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.