Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester
TL;DR: Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester (CAS 87285-83-4) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamoyl]-3-phenylprop-2-enoyl]amino]benzoate
Also Known As: Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester, Methyl 2-(2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-3-phenylprop-2-enamido)benzoate, methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamoyl]-3-phenyl-prop-2-enoyl]amino]benzoate, methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamoyl]-3-phenylprop-2-enoyl]amino]benzoate, RefChem:326517
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 3.9206 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1175.4104 |
Chemical Identifiers
| CAS Number | 87285-83-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester (CAS 87285-83-4), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamoyl]-3-phenylprop-2-enoyl]amino]benzoate.
Chemical Property Profile of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester
Property Insights of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester
The XLogP value of 3.9206 indicates that Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester has 2 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 Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester?
The CAS number of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester is 87285-83-4.
What is the molecular formula of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester?
The molecular formula of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester is C26H22N2O6.
What is the molecular weight of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester?
The molecular weight of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester is 458.15 g/mol.
Where can I buy Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester?
You can request a quote for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.