AB00116871-01
TL;DR: AB00116871-01 (CAS 378775-22-5) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00116871-01, (6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(3,4-dimethoxybenzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-(3,4-dimethoxybenzylidene)-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-5-IMINO-3-PHENYL-5H,6H,7H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-7-ONE
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 4.00807 |
| Topological Polar Surface Area | 74.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 1057.8204 |
Chemical Identifiers
| CAS Number | 378775-22-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=N)N3C(=CSC3=NC2=O)C4=CC=CC=C4)OC |
Product Overview
AB00116871-01 (CAS 378775-22-5), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: (6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00116871-01
Property Insights of AB00116871-01
The XLogP value of 4.00807 indicates that AB00116871-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116871-01. Following Lipinski's Rule of Five, AB00116871-01 has 1 hydrogen bond donor(s) and 5 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 AB00116871-01?
The CAS number of AB00116871-01 is 378775-22-5.
What is the molecular formula of AB00116871-01?
The molecular formula of AB00116871-01 is C21H17N3O3S.
What is the molecular weight of AB00116871-01?
The molecular weight of AB00116871-01 is 391.10 g/mol.
Where can I buy AB00116871-01?
You can request a quote for AB00116871-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116871-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116871-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.