1,3-Propanediol, 2,2-diethyl-1-phenyl-
TL;DR: 1,3-Propanediol, 2,2-diethyl-1-phenyl- (CAS 63834-79-7) 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.
2,2-diethyl-1-phenylpropane-1,3-diol
Also Known As: NCIOpen2_004121, 2,2-diethyl-1-phenylpropane-1,3-diol, MC 2340, 1, 2,2-diethyl-1-phenyl-, 1,3-Propanediol, 2,2-diethyl-1-phenyl-
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 63834-79-7 |
|---|---|
| SMILES | CCC(CC)(CO)C(C1=CC=CC=C1)O |
| InChIKey | PGIQMCOLYCTABQ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-1-phenyl- (CAS 63834-79-7), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 2,2-diethyl-1-phenylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-1-phenyl-
Property Insights of 1,3-Propanediol, 2,2-diethyl-1-phenyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-diethyl-1-phenyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2,2-diethyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-1-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, 2,2-diethyl-1-phenyl-?
The CAS number of 1,3-Propanediol, 2,2-diethyl-1-phenyl- is 63834-79-7.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-1-phenyl-?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-1-phenyl- is C13H20O2.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-1-phenyl-?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-1-phenyl- is 208.15 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-1-phenyl-?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-1-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, 2,2-diethyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.