(4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate
TL;DR: (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate (CAS 729579-85-5) is a chemical compound with molecular formula C26H27N3O4 and molecular weight 445.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-pentoxybenzoate
Also Known As: (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-pentoxybenzoate, Benzoic acid, 4-(pentyloxy)-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
| Molecular Formula | C26H27N3O4 |
|---|---|
| Molecular Weight | 445.20 g/mol |
| LogP | 6.4665 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 445.20016 |
| Heavy Atoms | 33 |
| Complexity | 1049.1598 |
Chemical Identifiers
| CAS Number | 729579-85-5 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 |
Product Overview
(4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate (CAS 729579-85-5), with molecular formula C26H27N3O4 and molecular weight 445.20 g/mol. IUPAC: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-pentoxybenzoate.
Chemical Property Profile of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate
Property Insights of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate
The XLogP value of 6.4665 indicates that (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate. Following Lipinski's Rule of Five, (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate?
The CAS number of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate is 729579-85-5.
What is the molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate?
The molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate is C26H27N3O4.
What is the molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate?
The molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate is 445.20 g/mol.
Where can I buy (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate?
You can request a quote for (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-phenyldiazenylphenyl)carbamoylmethyl 4-pentoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.