AB00122612-01
TL;DR: AB00122612-01 (CAS 433250-31-8) is a chemical compound with molecular formula C21H17FN4O3S and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00122612-01, (6E)-6-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H17FN4O3S |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 4.05237 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.10052 |
| Heavy Atoms | 30 |
| Complexity | 1142.8214 |
Chemical Identifiers
| CAS Number | 433250-31-8 |
|---|---|
| SMILES | CC1=NN2C(=N)/C(=C\C3=CC(=C(C=C3)OCC4=CC=CC=C4F)OC)/C(=O)N=C2S1 |
Product Overview
AB00122612-01 (CAS 433250-31-8), with molecular formula C21H17FN4O3S and molecular weight 424.10 g/mol. IUPAC: (6E)-6-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00122612-01
Property Insights of AB00122612-01
The XLogP value of 4.05237 indicates that AB00122612-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122612-01. Following Lipinski's Rule of Five, AB00122612-01 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 AB00122612-01?
The CAS number of AB00122612-01 is 433250-31-8.
What is the molecular formula of AB00122612-01?
The molecular formula of AB00122612-01 is C21H17FN4O3S.
What is the molecular weight of AB00122612-01?
The molecular weight of AB00122612-01 is 424.10 g/mol.
Where can I buy AB00122612-01?
You can request a quote for AB00122612-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122612-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122612-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.