3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)
TL;DR: 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) (CAS 64630-63-3) is a chemical compound with molecular formula C24H19NO6 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(4-cyanophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
Also Known As: EINECS 264-978-2, 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid), 7-Oxabicyclo[4.1.0]heptan-3-ylmethyl acrylate, 3,3'-[(4-Cyanophenyl)methylene]bis(6-hydroxy-5-methylbenzoic acid), 3,3'-[(4-cyanophenyl)methylene]bis[6-hydroxy-5-methylbenzoic acid
| Molecular Formula | C24H19NO6 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 4.16292 |
| Topological Polar Surface Area | 138.85 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.12125 |
| Heavy Atoms | 31 |
| Complexity | 1168.9049 |
Chemical Identifiers
| CAS Number | 64630-63-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)O)C(C2=CC=C(C=C2)C#N)C3=CC(=C(C(=C3)C)O)C(=O)O |
Product Overview
3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) (CAS 64630-63-3), with molecular formula C24H19NO6 and molecular weight 417.12 g/mol. IUPAC: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(4-cyanophenyl)methyl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)
Property Insights of 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)
The XLogP value of 4.16292 indicates that 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid). Following Lipinski's Rule of Five, 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) has 4 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 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)?
The CAS number of 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) is 64630-63-3.
What is the molecular formula of 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)?
The molecular formula of 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) is C24H19NO6.
What is the molecular weight of 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)?
The molecular weight of 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) is 417.12 g/mol.
Where can I buy 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)?
You can request a quote for 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.