AE-641/01984057
TL;DR: AE-641/01984057 (CAS 846597-21-5) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoate
Also Known As: AE-641/01984057, methyl 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinyl)diazenyl]benzoate, methyl 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]benzoate, METHYL 4-[(1E)-2-(5-CYANO-2-HYDROXY-1,4-DIMETHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)DIAZEN-1-YL]BENZOATE, methyl 4-[(2E)-2-(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]benzoate
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 2.473 |
| Topological Polar Surface Area | 117.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 921.06433 |
Chemical Identifiers
| CAS Number | 846597-21-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC=C(C=C2)C(=O)OC |
Product Overview
AE-641/01984057 (CAS 846597-21-5), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: methyl 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoate.
Chemical Property Profile of AE-641/01984057
Property Insights of AE-641/01984057
The XLogP value of 2.473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/01984057. The TPSA of 117.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/01984057. Following Lipinski's Rule of Five, AE-641/01984057 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 AE-641/01984057?
The CAS number of AE-641/01984057 is 846597-21-5.
What is the molecular formula of AE-641/01984057?
The molecular formula of AE-641/01984057 is C16H14N4O4.
What is the molecular weight of AE-641/01984057?
The molecular weight of AE-641/01984057 is 326.10 g/mol.
Where can I buy AE-641/01984057?
You can request a quote for AE-641/01984057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/01984057?
Yes, KEHONG BIO provides custom synthesis services for AE-641/01984057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.