RefChem:326522
TL;DR: RefChem:326522 (CAS 100093-49-0) is a chemical compound with molecular formula C25H20N2O8 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
Also Known As: Benzoic acid, 2,2'-((2-((4-hydroxy-3-methoxyphenyl)methylene)-1,3-dioxo-1,3-propanediyl)diimino)bis-, 2-{2-[(2-Carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido}benzoic acid, 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoic Acid, 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid, RefChem:326522
| Molecular Formula | C25H20N2O8 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 3.458 |
| Topological Polar Surface Area | 162.26 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.12198 |
| Heavy Atoms | 35 |
| Complexity | 1273.2985 |
Chemical Identifiers
| CAS Number | 100093-49-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O)O |
Product Overview
RefChem:326522 (CAS 100093-49-0), with molecular formula C25H20N2O8 and molecular weight 476.12 g/mol. IUPAC: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of RefChem:326522
Property Insights of RefChem:326522
The XLogP value of 3.458 indicates that RefChem:326522 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.26 Ų indicates high polarity, suggesting RefChem:326522 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326522 has 5 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:326522?
The CAS number of RefChem:326522 is 100093-49-0.
What is the molecular formula of RefChem:326522?
The molecular formula of RefChem:326522 is C25H20N2O8.
What is the molecular weight of RefChem:326522?
The molecular weight of RefChem:326522 is 476.12 g/mol.
Where can I buy RefChem:326522?
You can request a quote for RefChem:326522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326522?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.