1,3-Pentanediol
TL;DR: 1,3-Pentanediol (CAS 3174-67-2) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentane-1,3-diol
Also Known As: 1,3-Pentanediol, pentane-1,3-diol, Pentane-13-diol, HYDROLITE S, 1,3-pentane diol
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 3174-67-2 |
|---|---|
| SMILES | CCC(CCO)O |
| InChIKey | RUOPINZRYMFPBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Pentanediol (CAS 3174-67-2), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: pentane-1,3-diol.
Chemical Property Profile of 1,3-Pentanediol
Property Insights of 1,3-Pentanediol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Pentanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Pentanediol 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-Pentanediol?
The CAS number of 1,3-Pentanediol is 3174-67-2.
What is the molecular formula of 1,3-Pentanediol?
The molecular formula of 1,3-Pentanediol is C5H12O2.
What is the molecular weight of 1,3-Pentanediol?
The molecular weight of 1,3-Pentanediol is 104.08 g/mol.
Where can I buy 1,3-Pentanediol?
You can request a quote for 1,3-Pentanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Pentanediol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.