2-Propylheptane-1,3-diol
TL;DR: 2-Propylheptane-1,3-diol (CAS 74668-35-2) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylheptane-1,3-diol
Also Known As: 2-propylheptane-1,3-diol, 2-propyl-1,3-heptanediol, 1,3-Heptanediol,2-propyl-
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 74668-35-2 |
|---|---|
| SMILES | CCCCC(C(CCC)CO)O |
| InChIKey | ABKPXFXYNQLANQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propylheptane-1,3-diol (CAS 74668-35-2), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 2-propylheptane-1,3-diol.
Chemical Property Profile of 2-Propylheptane-1,3-diol
Property Insights of 2-Propylheptane-1,3-diol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propylheptane-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Propylheptane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propylheptane-1,3-diol 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-Propylheptane-1,3-diol?
The CAS number of 2-Propylheptane-1,3-diol is 74668-35-2.
What is the molecular formula of 2-Propylheptane-1,3-diol?
The molecular formula of 2-Propylheptane-1,3-diol is C10H22O2.
What is the molecular weight of 2-Propylheptane-1,3-diol?
The molecular weight of 2-Propylheptane-1,3-diol is 174.16 g/mol.
Where can I buy 2-Propylheptane-1,3-diol?
You can request a quote for 2-Propylheptane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propylheptane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Propylheptane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.