1,2-Heptanediol, 1-formate
TL;DR: 1,2-Heptanediol, 1-formate (CAS 68443-65-2) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyheptyl formate
Also Known As: 2-Hydroxyheptyl formate, 1,2-Heptanediol formate, 1,2-Heptanediol, 1-formate, 2-hydroxyheptylformate, 1,2-Heptanediol 1-formate
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 68443-65-2 |
|---|---|
| SMILES | CCCCCC(COC=O)O |
| InChIKey | CGPQXTSYZUTIPW-UHFFFAOYSA-N |
Product Overview
1,2-Heptanediol, 1-formate (CAS 68443-65-2), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 2-hydroxyheptyl formate.
Chemical Property Profile of 1,2-Heptanediol, 1-formate
Property Insights of 1,2-Heptanediol, 1-formate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Heptanediol, 1-formate. With a topological polar surface area (TPSA) of 46.5 Ų, 1,2-Heptanediol, 1-formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Heptanediol, 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 1,2-Heptanediol, 1-formate?
The CAS number of 1,2-Heptanediol, 1-formate is 68443-65-2.
What is the molecular formula of 1,2-Heptanediol, 1-formate?
The molecular formula of 1,2-Heptanediol, 1-formate is C8H16O3.
What is the molecular weight of 1,2-Heptanediol, 1-formate?
The molecular weight of 1,2-Heptanediol, 1-formate is 160.11 g/mol.
Where can I buy 1,2-Heptanediol, 1-formate?
You can request a quote for 1,2-Heptanediol, 1-formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Heptanediol, 1-formate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Heptanediol, 1-formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.