1,3-Undecanediol
TL;DR: 1,3-Undecanediol (CAS 115458-75-8) is a chemical compound with molecular formula C11H24O2 and molecular weight 188.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecane-1,3-diol
Also Known As: undecane-1,3-diol, 1,3-Undecanediol, 1,3-Dihydroxyundecane, 1,3-Undecanediol, (S)-, J1.902.226I
| Molecular Formula | C11H24O2 |
|---|---|
| Molecular Weight | 188.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.17763 |
| Heavy Atoms | 13 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 115458-75-8 |
|---|---|
| SMILES | CCCCCCCCC(CCO)O |
| InChIKey | CSFUNXXUTSRHPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Undecanediol (CAS 115458-75-8), with molecular formula C11H24O2 and molecular weight 188.18 g/mol. IUPAC: undecane-1,3-diol.
Chemical Property Profile of 1,3-Undecanediol
Property Insights of 1,3-Undecanediol
The XLogP value of 3.2 indicates that 1,3-Undecanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Undecanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Undecanediol 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-Undecanediol?
The CAS number of 1,3-Undecanediol is 115458-75-8.
What is the molecular formula of 1,3-Undecanediol?
The molecular formula of 1,3-Undecanediol is C11H24O2.
What is the molecular weight of 1,3-Undecanediol?
The molecular weight of 1,3-Undecanediol is 188.18 g/mol.
Where can I buy 1,3-Undecanediol?
You can request a quote for 1,3-Undecanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Undecanediol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Undecanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.