1,2-Propanediol, 1-methyl-3-phenoxy-
TL;DR: 1,2-Propanediol, 1-methyl-3-phenoxy- (CAS 64039-44-7) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenoxybutane-2,3-diol
Also Known As: 1-phenoxybutane-2,3-diol, 1-Phenoxy-2,3-butanediol, 1-Methyl-3-phenoxy-1,2-propanediol, 2,3-Butanediol, 1-phenoxy-, 1,2-Propanediol, 1-methyl-3-phenoxy-
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 64039-44-7 |
|---|---|
| SMILES | CC(C(COC1=CC=CC=C1)O)O |
| InChIKey | XJBQYXCXGYSVBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Propanediol, 1-methyl-3-phenoxy- (CAS 64039-44-7), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 1-phenoxybutane-2,3-diol.
Chemical Property Profile of 1,2-Propanediol, 1-methyl-3-phenoxy-
Property Insights of 1,2-Propanediol, 1-methyl-3-phenoxy-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 1-methyl-3-phenoxy-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,2-Propanediol, 1-methyl-3-phenoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 1-methyl-3-phenoxy- has 2 hydrogen bond donor(s) and 3 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 1,2-Propanediol, 1-methyl-3-phenoxy-?
The CAS number of 1,2-Propanediol, 1-methyl-3-phenoxy- is 64039-44-7.
What is the molecular formula of 1,2-Propanediol, 1-methyl-3-phenoxy-?
The molecular formula of 1,2-Propanediol, 1-methyl-3-phenoxy- is C10H14O3.
What is the molecular weight of 1,2-Propanediol, 1-methyl-3-phenoxy-?
The molecular weight of 1,2-Propanediol, 1-methyl-3-phenoxy- is 182.09 g/mol.
Where can I buy 1,2-Propanediol, 1-methyl-3-phenoxy-?
You can request a quote for 1,2-Propanediol, 1-methyl-3-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 1-methyl-3-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 1-methyl-3-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.