AB00106590-01
TL;DR: AB00106590-01 (CAS 6381-03-9) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-2-phenyl-6-[(2,3,4-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00106590-01, 5-imino-2-phenyl-6-(2,3,4-trimethoxybenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-2-phenyl-6-[(2,3,4-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H18N4O4S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.37987 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1049 |
| Heavy Atoms | 30 |
| Complexity | 1125.3263 |
Chemical Identifiers
| CAS Number | 6381-03-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CC=CC=C4)OC)OC |
Product Overview
AB00106590-01 (CAS 6381-03-9), with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol. IUPAC: (6Z)-5-imino-2-phenyl-6-[(2,3,4-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00106590-01
Property Insights of AB00106590-01
The XLogP value of 3.37987 indicates that AB00106590-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106590-01. Following Lipinski's Rule of Five, AB00106590-01 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 AB00106590-01?
The CAS number of AB00106590-01 is 6381-03-9.
What is the molecular formula of AB00106590-01?
The molecular formula of AB00106590-01 is C21H18N4O4S.
What is the molecular weight of AB00106590-01?
The molecular weight of AB00106590-01 is 422.10 g/mol.
Where can I buy AB00106590-01?
You can request a quote for AB00106590-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106590-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106590-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.