p-Cymene-9,10-diol
TL;DR: p-Cymene-9,10-diol (CAS 4424-32-2) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)propane-1,3-diol
Also Known As: p-Cymene-9,10-diol, 1,3-Propanediol, 2-p-tolyl-, 2-(4-methylphenyl)propane-1,3-diol, 1,3-Propanediol,2-p-tolyl, 2-(p-tolyl)propane-1,3-diol
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 4424-32-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CO)CO |
| InChIKey | VFUWTUIVNISCGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Cymene-9,10-diol (CAS 4424-32-2), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 2-(4-methylphenyl)propane-1,3-diol.
Chemical Property Profile of p-Cymene-9,10-diol
Property Insights of p-Cymene-9,10-diol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Cymene-9,10-diol. With a topological polar surface area (TPSA) of 40.5 Ų, p-Cymene-9,10-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cymene-9,10-diol has 2 hydrogen bond donor(s) and 2 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 p-Cymene-9,10-diol?
The CAS number of p-Cymene-9,10-diol is 4424-32-2.
What is the molecular formula of p-Cymene-9,10-diol?
The molecular formula of p-Cymene-9,10-diol is C10H14O2.
What is the molecular weight of p-Cymene-9,10-diol?
The molecular weight of p-Cymene-9,10-diol is 166.10 g/mol.
Where can I buy p-Cymene-9,10-diol?
You can request a quote for p-Cymene-9,10-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cymene-9,10-diol?
Yes, KEHONG BIO provides custom synthesis services for p-Cymene-9,10-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.