AE-848/34331006
TL;DR: AE-848/34331006 (CAS 369603-65-6) is a chemical compound with molecular formula C18H13ClN4O6 and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid
Also Known As: AE-848/34331006, 4-[[2-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid, 4-{[{(2E)-2-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}(oxo)acetyl]amino}benzoic acid, 4-[[[[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]carbamoylformyl]amino]benzoic Acid, 4-(2-((E)-2-((Z)-2-chloro-3-(4-nitrophenyl)allylidene)hydrazinyl)-2-oxoacetamido)benzoic acid
| Molecular Formula | C18H13ClN4O6 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 2.6134 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.05237 |
| Heavy Atoms | 29 |
| Complexity | 1000.01636 |
Chemical Identifiers
| CAS Number | 369603-65-6 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)C(=O)O)\Cl)[N+](=O)[O-] |
Product Overview
AE-848/34331006 (CAS 369603-65-6), with molecular formula C18H13ClN4O6 and molecular weight 416.05 g/mol. IUPAC: 4-[[2-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid.
Chemical Property Profile of AE-848/34331006
Property Insights of AE-848/34331006
The XLogP value of 2.6134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/34331006. The TPSA of 151.0 Ų indicates high polarity, suggesting AE-848/34331006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AE-848/34331006 has 3 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 AE-848/34331006?
The CAS number of AE-848/34331006 is 369603-65-6.
What is the molecular formula of AE-848/34331006?
The molecular formula of AE-848/34331006 is C18H13ClN4O6.
What is the molecular weight of AE-848/34331006?
The molecular weight of AE-848/34331006 is 416.05 g/mol.
Where can I buy AE-848/34331006?
You can request a quote for AE-848/34331006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/34331006?
Yes, KEHONG BIO provides custom synthesis services for AE-848/34331006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.