AE-641/40777590
TL;DR: AE-641/40777590 (CAS 307506-45-2) is a chemical compound with molecular formula C13H7ClFN3O2S and molecular weight 322.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: AE-641/40777590, F3048-0337, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-2-(2-chloro-6-fluorobenzylidene)-6-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-2-[(2-CHLORO-6-FLUOROPHENYL)METHYLIDENE]-6-METHYL-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZINE-3,7-DIONE
| Molecular Formula | C13H7ClFN3O2S |
|---|---|
| Molecular Weight | 322.99 g/mol |
| LogP | 1.15982 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.99316 |
| Heavy Atoms | 21 |
| Complexity | 1008.04803 |
Chemical Identifiers
| CAS Number | 307506-45-2 |
|---|---|
| SMILES | CC1=NN2C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/SC2=NC1=O |
Product Overview
AE-641/40777590 (CAS 307506-45-2), with molecular formula C13H7ClFN3O2S and molecular weight 322.99 g/mol. IUPAC: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of AE-641/40777590
Property Insights of AE-641/40777590
The XLogP value of 1.15982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/40777590. The TPSA of 64.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40777590. Following Lipinski's Rule of Five, AE-641/40777590 has 0 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 AE-641/40777590?
The CAS number of AE-641/40777590 is 307506-45-2.
What is the molecular formula of AE-641/40777590?
The molecular formula of AE-641/40777590 is C13H7ClFN3O2S.
What is the molecular weight of AE-641/40777590?
The molecular weight of AE-641/40777590 is 322.99 g/mol.
Where can I buy AE-641/40777590?
You can request a quote for AE-641/40777590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40777590?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40777590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.