1,3-Propanediol, 2-methyl-2-phenyl-
TL;DR: 1,3-Propanediol, 2-methyl-2-phenyl- (CAS 24765-53-5) 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-methyl-2-phenylpropane-1,3-diol
Also Known As: 2-Methyl-2-phenylpropane-1,3-diol, 1,3-Propanediol, 2-methyl-2-phenyl-, 2-METHYL-2-PHENYL-PROPANE-1,3-DIOL, 2-Methyl-2-phenyl-1,3-propanediol, 1, 2-methyl-2-phenyl-
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.2 |
| 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 | 124.0 |
Chemical Identifiers
| CAS Number | 24765-53-5 |
|---|---|
| SMILES | CC(CO)(CO)C1=CC=CC=C1 |
| InChIKey | BHEIMYVOVVBWRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-methyl-2-phenyl- (CAS 24765-53-5), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 2-methyl-2-phenylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-phenyl-
Property Insights of 1,3-Propanediol, 2-methyl-2-phenyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-phenyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-methyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-phenyl- 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 1,3-Propanediol, 2-methyl-2-phenyl-?
The CAS number of 1,3-Propanediol, 2-methyl-2-phenyl- is 24765-53-5.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-phenyl-?
The molecular formula of 1,3-Propanediol, 2-methyl-2-phenyl- is C10H14O2.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-phenyl-?
The molecular weight of 1,3-Propanediol, 2-methyl-2-phenyl- is 166.10 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-phenyl-?
You can request a quote for 1,3-Propanediol, 2-methyl-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-methyl-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.