2-Pentyl-1,3-propanediol
TL;DR: 2-Pentyl-1,3-propanediol (CAS 25462-23-1) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentylpropane-1,3-diol
Also Known As: 2-pentylpropane-1,3-diol, 2-Pentyl-1,3-propanediol, 2-N-PENTYLPROPANE-1,3-DIOL, 1,3-Propanediol, 2-pentyl-, 2-pentylpropane-1,3diol
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 25462-23-1 |
|---|---|
| SMILES | CCCCCC(CO)CO |
| InChIKey | RHYUFGNCUXTFTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentyl-1,3-propanediol (CAS 25462-23-1), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2-pentylpropane-1,3-diol.
Chemical Property Profile of 2-Pentyl-1,3-propanediol
Property Insights of 2-Pentyl-1,3-propanediol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentyl-1,3-propanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Pentyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyl-1,3-propanediol 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-Pentyl-1,3-propanediol?
The CAS number of 2-Pentyl-1,3-propanediol is 25462-23-1.
What is the molecular formula of 2-Pentyl-1,3-propanediol?
The molecular formula of 2-Pentyl-1,3-propanediol is C8H18O2.
What is the molecular weight of 2-Pentyl-1,3-propanediol?
The molecular weight of 2-Pentyl-1,3-propanediol is 146.13 g/mol.
Where can I buy 2-Pentyl-1,3-propanediol?
You can request a quote for 2-Pentyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.