AN-988/41028606
TL;DR: AN-988/41028606 (CAS 700847-87-6) is a chemical compound with molecular formula C16H14N4O5 and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoic acid
Also Known As: AN-988/41028606, (E)-2-(2-(5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid, 2-[(2E)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoic acid, 2-[(2Z)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoic acid, 2-[2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C16H14N4O5 |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0964 |
| Heavy Atoms | 25 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 700847-87-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)CCO)N=NC2=CC=CC=C2C(=O)O |
| InChIKey | QNCRXNZPFJZZEZ-UHFFFAOYSA-N |
Product Overview
AN-988/41028606 (CAS 700847-87-6), with molecular formula C16H14N4O5 and molecular weight 342.10 g/mol. IUPAC: 2-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoic acid.
Chemical Property Profile of AN-988/41028606
Property Insights of AN-988/41028606
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/41028606. The TPSA of 147.0 Ų indicates high polarity, suggesting AN-988/41028606 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AN-988/41028606 has 3 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 AN-988/41028606?
The CAS number of AN-988/41028606 is 700847-87-6.
What is the molecular formula of AN-988/41028606?
The molecular formula of AN-988/41028606 is C16H14N4O5.
What is the molecular weight of AN-988/41028606?
The molecular weight of AN-988/41028606 is 342.10 g/mol.
Where can I buy AN-988/41028606?
You can request a quote for AN-988/41028606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/41028606?
Yes, KEHONG BIO provides custom synthesis services for AN-988/41028606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.