2,4-Hexanediol, 2-methyl-4-phenyl-
TL;DR: 2,4-Hexanediol, 2-methyl-4-phenyl- (CAS 21133-90-4) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-phenylhexane-2,4-diol
Also Known As: 2-Methyl-4-phenyl-2,4-hexanediol, 2-methyl-4-phenylhexane-2,4-diol, 2-Methyl-4-phenyl-hexane-2,4-diol, 2,4-HEXANEDIOL, 2-METHYL-4-PHENYL-, 2-(p-Chlorophenyl)-4-ethyl-2,4-hexanediol
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 21133-90-4 |
|---|---|
| SMILES | CCC(CC(C)(C)O)(C1=CC=CC=C1)O |
| InChIKey | PTQRSJSVYDMWEE-UHFFFAOYSA-N |
Product Overview
2,4-Hexanediol, 2-methyl-4-phenyl- (CAS 21133-90-4), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 2-methyl-4-phenylhexane-2,4-diol.
Chemical Property Profile of 2,4-Hexanediol, 2-methyl-4-phenyl-
Property Insights of 2,4-Hexanediol, 2-methyl-4-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexanediol, 2-methyl-4-phenyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 2,4-Hexanediol, 2-methyl-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexanediol, 2-methyl-4-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 2,4-Hexanediol, 2-methyl-4-phenyl-?
The CAS number of 2,4-Hexanediol, 2-methyl-4-phenyl- is 21133-90-4.
What is the molecular formula of 2,4-Hexanediol, 2-methyl-4-phenyl-?
The molecular formula of 2,4-Hexanediol, 2-methyl-4-phenyl- is C13H20O2.
What is the molecular weight of 2,4-Hexanediol, 2-methyl-4-phenyl-?
The molecular weight of 2,4-Hexanediol, 2-methyl-4-phenyl- is 208.15 g/mol.
Where can I buy 2,4-Hexanediol, 2-methyl-4-phenyl-?
You can request a quote for 2,4-Hexanediol, 2-methyl-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Hexanediol, 2-methyl-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Hexanediol, 2-methyl-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.