AB00117966-01
TL;DR: AB00117966-01 (CAS 385386-32-3) is a chemical compound with molecular formula C25H20N4O3S2 and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00117966-01, (Z)-5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-phenethyl-2-thioxothiazolidin-4-one, 2-[(2-furylmethyl)amino]-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, 2-[(2-furylmethyl)amino]-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-{[(FURAN-2-YL)METHYL]AMINO}-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-3-(2-PHENYLETHYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C25H20N4O3S2 |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 4.3435 |
| Topological Polar Surface Area | 79.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.0977 |
| Heavy Atoms | 34 |
| Complexity | 1446.3096 |
Chemical Identifiers
| CAS Number | 385386-32-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)NCC5=CC=CO5)/SC2=S |
Product Overview
AB00117966-01 (CAS 385386-32-3), with molecular formula C25H20N4O3S2 and molecular weight 488.10 g/mol. IUPAC: (5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00117966-01
Property Insights of AB00117966-01
The XLogP value of 4.3435 indicates that AB00117966-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117966-01. Following Lipinski's Rule of Five, AB00117966-01 has 1 hydrogen bond donor(s) and 7 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 AB00117966-01?
The CAS number of AB00117966-01 is 385386-32-3.
What is the molecular formula of AB00117966-01?
The molecular formula of AB00117966-01 is C25H20N4O3S2.
What is the molecular weight of AB00117966-01?
The molecular weight of AB00117966-01 is 488.10 g/mol.
Where can I buy AB00117966-01?
You can request a quote for AB00117966-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117966-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117966-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.