(3-Oxo-1,3-diphenylpropyl)propanedioic acid
TL;DR: (3-Oxo-1,3-diphenylpropyl)propanedioic acid (CAS 4475-13-2) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1,3-diphenylpropyl)propanedioic acid
Also Known As: (3-Oxo-1,3-diphenylpropyl)propanedioic acid, 2-(3-oxo-1,3-diphenylpropyl)propanedioic acid
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 4475-13-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(=O)O)C(=O)O |
| InChIKey | HHCMOYAXJFBXPH-UHFFFAOYSA-N |
Product Overview
(3-Oxo-1,3-diphenylpropyl)propanedioic acid (CAS 4475-13-2), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: 2-(3-oxo-1,3-diphenylpropyl)propanedioic acid.
Chemical Property Profile of (3-Oxo-1,3-diphenylpropyl)propanedioic acid
Property Insights of (3-Oxo-1,3-diphenylpropyl)propanedioic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Oxo-1,3-diphenylpropyl)propanedioic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Oxo-1,3-diphenylpropyl)propanedioic acid. Following Lipinski's Rule of Five, (3-Oxo-1,3-diphenylpropyl)propanedioic acid has 2 hydrogen bond donor(s) and 5 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 (3-Oxo-1,3-diphenylpropyl)propanedioic acid?
The CAS number of (3-Oxo-1,3-diphenylpropyl)propanedioic acid is 4475-13-2.
What is the molecular formula of (3-Oxo-1,3-diphenylpropyl)propanedioic acid?
The molecular formula of (3-Oxo-1,3-diphenylpropyl)propanedioic acid is C18H16O5.
What is the molecular weight of (3-Oxo-1,3-diphenylpropyl)propanedioic acid?
The molecular weight of (3-Oxo-1,3-diphenylpropyl)propanedioic acid is 312.10 g/mol.
Where can I buy (3-Oxo-1,3-diphenylpropyl)propanedioic acid?
You can request a quote for (3-Oxo-1,3-diphenylpropyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Oxo-1,3-diphenylpropyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Oxo-1,3-diphenylpropyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.