A0779/0036456
TL;DR: A0779/0036456 (CAS 306745-20-0) is a chemical compound with molecular formula C31H22N4O4 and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-nitro-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 2-naphthalen-1-ylacetate
Also Known As: A0779/0036456, 2-nitro-4-[(E)-({4-[(E)-phenyldiazenyl]phenyl}imino)methyl]phenyl naphthalen-1-ylacetate, [2-nitro-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 2-naphthalen-1-ylacetate, 1-Naphthaleneacetic acid, 2-nitro-4-[[[4-(phenylazo)phenyl]imino]methyl]phenyl ester (9CI), 2-NITRO-4-[(E)-({4-[(1E)-2-PHENYLDIAZEN-1-YL]PHENYL}IMINO)METHYL]PHENYL 2-(NAPHTHALEN-1-YL)ACETATE
| Molecular Formula | C31H22N4O4 |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 8.0621 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1641 |
| Heavy Atoms | 39 |
| Complexity | 1692.5598 |
Chemical Identifiers
| CAS Number | 306745-20-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=CC3=CC(=C(C=C3)OC(=O)CC4=CC=CC5=CC=CC=C54)[N+](=O)[O-] |
Product Overview
A0779/0036456 (CAS 306745-20-0), with molecular formula C31H22N4O4 and molecular weight 514.16 g/mol. IUPAC: [2-nitro-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 2-naphthalen-1-ylacetate.
Chemical Property Profile of A0779/0036456
Property Insights of A0779/0036456
The XLogP value of 8.0621 indicates that A0779/0036456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for A0779/0036456. Following Lipinski's Rule of Five, A0779/0036456 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0779/0036456?
The CAS number of A0779/0036456 is 306745-20-0.
What is the molecular formula of A0779/0036456?
The molecular formula of A0779/0036456 is C31H22N4O4.
What is the molecular weight of A0779/0036456?
The molecular weight of A0779/0036456 is 514.16 g/mol.
Where can I buy A0779/0036456?
You can request a quote for A0779/0036456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0779/0036456?
Yes, KEHONG BIO provides custom synthesis services for A0779/0036456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.