1,3-Nonanediol, 1-formate
TL;DR: 1,3-Nonanediol, 1-formate (CAS 68227-53-2) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxynonyl formate
Also Known As: 3-Hydroxynonyl formate, 1,3-Nonanediol, 1-formate, Babassuamide monoethanolamide, SDA 01-022-00, EC 931-330-1
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 68227-53-2 |
|---|---|
| SMILES | CCCCCCC(CCOC=O)O |
| InChIKey | CVKJUIUKJHCMER-UHFFFAOYSA-N |
Product Overview
1,3-Nonanediol, 1-formate (CAS 68227-53-2), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: 3-hydroxynonyl formate.
Chemical Property Profile of 1,3-Nonanediol, 1-formate
Property Insights of 1,3-Nonanediol, 1-formate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Nonanediol, 1-formate. With a topological polar surface area (TPSA) of 46.5 Ų, 1,3-Nonanediol, 1-formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Nonanediol, 1-formate has 1 hydrogen bond donor(s) and 3 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-Nonanediol, 1-formate?
The CAS number of 1,3-Nonanediol, 1-formate is 68227-53-2.
What is the molecular formula of 1,3-Nonanediol, 1-formate?
The molecular formula of 1,3-Nonanediol, 1-formate is C10H20O3.
What is the molecular weight of 1,3-Nonanediol, 1-formate?
The molecular weight of 1,3-Nonanediol, 1-formate is 188.14 g/mol.
Where can I buy 1,3-Nonanediol, 1-formate?
You can request a quote for 1,3-Nonanediol, 1-formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Nonanediol, 1-formate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Nonanediol, 1-formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.