AB00116648-01
TL;DR: AB00116648-01 (CAS 431920-77-3) is a chemical compound with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00116648-01, (6Z)-5-imino-6-[[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-IMINO-6-({3-METHOXY-4-[2-(4-METHOXYPHENOXY)ETHOXY]PHENYL}METHYLIDENE)-2-(PROPAN-2-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE, (6Z)-5-imino-6-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H26N4O5S |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | 4.43677 |
| Topological Polar Surface Area | 105.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.16238 |
| Heavy Atoms | 35 |
| Complexity | 1220.863 |
Chemical Identifiers
| CAS Number | 431920-77-3 |
|---|---|
| SMILES | CC(C)C1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OCCOC4=CC=C(C=C4)OC)OC)/C(=O)N=C2S1 |
Product Overview
AB00116648-01 (CAS 431920-77-3), with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol. IUPAC: (6Z)-5-imino-6-[[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00116648-01
Property Insights of AB00116648-01
The XLogP value of 4.43677 indicates that AB00116648-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116648-01. Following Lipinski's Rule of Five, AB00116648-01 has 1 hydrogen bond donor(s) and 8 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 AB00116648-01?
The CAS number of AB00116648-01 is 431920-77-3.
What is the molecular formula of AB00116648-01?
The molecular formula of AB00116648-01 is C25H26N4O5S.
What is the molecular weight of AB00116648-01?
The molecular weight of AB00116648-01 is 494.16 g/mol.
Where can I buy AB00116648-01?
You can request a quote for AB00116648-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116648-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116648-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.