AB00116645-01
TL;DR: AB00116645-01 (CAS 385389-85-5) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-methyl-5-[[4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00116645-01, 3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-METHYL-5-({4-OXO-2-[(2-PHENYLETHYL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-methyl-5-[[4-oxo-2-(phenethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-methyl-5-((4-oxo-2-(phenethylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.1801 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1188.2554 |
Chemical Identifiers
| CAS Number | 385389-85-5 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCCC4=CC=CC=C4)/SC1=S |
Product Overview
AB00116645-01 (CAS 385389-85-5), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: (5Z)-3-methyl-5-[[4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00116645-01
Property Insights of AB00116645-01
The XLogP value of 3.1801 indicates that AB00116645-01 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 AB00116645-01. Following Lipinski's Rule of Five, AB00116645-01 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 AB00116645-01?
The CAS number of AB00116645-01 is 385389-85-5.
What is the molecular formula of AB00116645-01?
The molecular formula of AB00116645-01 is C21H18N4O2S2.
What is the molecular weight of AB00116645-01?
The molecular weight of AB00116645-01 is 422.09 g/mol.
Where can I buy AB00116645-01?
You can request a quote for AB00116645-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116645-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116645-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.