3-(DI-O-Tolylmethyl)pentanedioic acid
TL;DR: 3-(DI-O-Tolylmethyl)pentanedioic acid (CAS 172876-76-5) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-methylphenyl)methyl]pentanedioic acid
Also Known As: 3-(DI-O-TOLYLMETHYL)PENTANEDIOIC ACID, 3-[bis(2-methylphenyl)methyl]pentanedioic acid
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 172876-76-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C2=CC=CC=C2C)C(CC(=O)O)CC(=O)O |
| InChIKey | UTXJBHLWUVZUDU-UHFFFAOYSA-N |
Product Overview
3-(DI-O-Tolylmethyl)pentanedioic acid (CAS 172876-76-5), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: 3-[bis(2-methylphenyl)methyl]pentanedioic acid.
Chemical Property Profile of 3-(DI-O-Tolylmethyl)pentanedioic acid
Property Insights of 3-(DI-O-Tolylmethyl)pentanedioic acid
The XLogP value of 3.6 indicates that 3-(DI-O-Tolylmethyl)pentanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(DI-O-Tolylmethyl)pentanedioic acid. Following Lipinski's Rule of Five, 3-(DI-O-Tolylmethyl)pentanedioic acid has 2 hydrogen bond donor(s) and 4 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-(DI-O-Tolylmethyl)pentanedioic acid?
The CAS number of 3-(DI-O-Tolylmethyl)pentanedioic acid is 172876-76-5.
What is the molecular formula of 3-(DI-O-Tolylmethyl)pentanedioic acid?
The molecular formula of 3-(DI-O-Tolylmethyl)pentanedioic acid is C20H22O4.
What is the molecular weight of 3-(DI-O-Tolylmethyl)pentanedioic acid?
The molecular weight of 3-(DI-O-Tolylmethyl)pentanedioic acid is 326.15 g/mol.
Where can I buy 3-(DI-O-Tolylmethyl)pentanedioic acid?
You can request a quote for 3-(DI-O-Tolylmethyl)pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(DI-O-Tolylmethyl)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(DI-O-Tolylmethyl)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.