A0984/0045985
TL;DR: A0984/0045985 (CAS 310875-97-9) is a chemical compound with molecular formula C27H20N4O4 and molecular weight 464.15 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] 3-methylbenzoate
Also Known As: A0984/0045985, 2-nitro-4-[(E)-({4-[(E)-phenyldiazenyl]phenyl}imino)methyl]phenyl 3-methylbenzoate, [2-nitro-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 3-methylbenzoate, Benzoic acid, 3-methyl-, 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 3-METHYLBENZOATE
| Molecular Formula | C27H20N4O4 |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 7.28842 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.14847 |
| Heavy Atoms | 35 |
| Complexity | 1415.0624 |
Chemical Identifiers
| CAS Number | 310875-97-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C=C2)C=NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
A0984/0045985 (CAS 310875-97-9), with molecular formula C27H20N4O4 and molecular weight 464.15 g/mol. IUPAC: [2-nitro-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 3-methylbenzoate.
Chemical Property Profile of A0984/0045985
Property Insights of A0984/0045985
The XLogP value of 7.28842 indicates that A0984/0045985 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 A0984/0045985. Following Lipinski's Rule of Five, A0984/0045985 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 A0984/0045985?
The CAS number of A0984/0045985 is 310875-97-9.
What is the molecular formula of A0984/0045985?
The molecular formula of A0984/0045985 is C27H20N4O4.
What is the molecular weight of A0984/0045985?
The molecular weight of A0984/0045985 is 464.15 g/mol.
Where can I buy A0984/0045985?
You can request a quote for A0984/0045985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0984/0045985?
Yes, KEHONG BIO provides custom synthesis services for A0984/0045985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.