RefChem:326520
TL;DR: RefChem:326520 (CAS 100093-45-6) is a chemical compound with molecular formula C26H22N2O8 and molecular weight 490.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Also Known As: 2,2'-((2-((3,4-Dimethoxyphenyl)methylene)-1,3-dioxo-1,3-propanediyl)diimino)bisbenzoic acid, Benzoic acid, 2,2'-((2-((3,4-dimethoxyphenyl)methylene)-1,3-dioxo-1,3-propanediyl)diimino)bis-, 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid, 2-{2-[(2-Carboxyphenyl)carbamoyl]-3-(3,4-dimethoxyphenyl)prop-2-enamido}benzoic acid, RefChem:326520
| Molecular Formula | C26H22N2O8 |
|---|---|
| Molecular Weight | 490.14 g/mol |
| LogP | 3.761 |
| Topological Polar Surface Area | 151.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.1376 |
| Heavy Atoms | 36 |
| Complexity | 1290.055 |
Chemical Identifiers
| CAS Number | 100093-45-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O)OC |
Product Overview
RefChem:326520 (CAS 100093-45-6), with molecular formula C26H22N2O8 and molecular weight 490.14 g/mol. IUPAC: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of RefChem:326520
Property Insights of RefChem:326520
The XLogP value of 3.761 indicates that RefChem:326520 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.26 Ų indicates high polarity, suggesting RefChem:326520 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326520 has 4 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 RefChem:326520?
The CAS number of RefChem:326520 is 100093-45-6.
What is the molecular formula of RefChem:326520?
The molecular formula of RefChem:326520 is C26H22N2O8.
What is the molecular weight of RefChem:326520?
The molecular weight of RefChem:326520 is 490.14 g/mol.
Where can I buy RefChem:326520?
You can request a quote for RefChem:326520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326520?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.