1,3-Propanediol, 2-(3-phenylpropyl)-
TL;DR: 1,3-Propanediol, 2-(3-phenylpropyl)- (CAS 30727-18-5) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylpropyl)propane-1,3-diol
Also Known As: 2-(3-phenylpropyl)propane-1,3-diol, 2-(3-Phenylpropyl)-1,3-propanediol, 1,3-Propanediol, 2-(3-phenylpropyl)-, 2-hydroxymethyl-5-phenyl-1-pentanol, 1,3-Propanediol,2-(3-phenylpropyl)-
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 30727-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(CO)CO |
| InChIKey | YNUXDWWNKONUFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-(3-phenylpropyl)- (CAS 30727-18-5), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 2-(3-phenylpropyl)propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-(3-phenylpropyl)-
Property Insights of 1,3-Propanediol, 2-(3-phenylpropyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(3-phenylpropyl)-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-(3-phenylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(3-phenylpropyl)- 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-(3-phenylpropyl)-?
The CAS number of 1,3-Propanediol, 2-(3-phenylpropyl)- is 30727-18-5.
What is the molecular formula of 1,3-Propanediol, 2-(3-phenylpropyl)-?
The molecular formula of 1,3-Propanediol, 2-(3-phenylpropyl)- is C12H18O2.
What is the molecular weight of 1,3-Propanediol, 2-(3-phenylpropyl)-?
The molecular weight of 1,3-Propanediol, 2-(3-phenylpropyl)- is 194.13 g/mol.
Where can I buy 1,3-Propanediol, 2-(3-phenylpropyl)-?
You can request a quote for 1,3-Propanediol, 2-(3-phenylpropyl)- 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-(3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.