1,2-Heptanediol, 1-propanoate
TL;DR: 1,2-Heptanediol, 1-propanoate (CAS 67845-56-1) 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.
2-hydroxyheptyl propanoate
Also Known As: 2-Hydroxyheptyl propionate, 2-hydroxyheptyl propanoate, 1,2-Heptanediol, 1-propanoate, 1,2-Heptanediol 1-propionate, Isopropyl tri(6-aminocaproyl) titanate
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 67845-56-1 |
|---|---|
| SMILES | CCCCCC(COC(=O)CC)O |
| InChIKey | SPSUSSKQSQLWFK-UHFFFAOYSA-N |
Product Overview
1,2-Heptanediol, 1-propanoate (CAS 67845-56-1), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: 2-hydroxyheptyl propanoate.
Chemical Property Profile of 1,2-Heptanediol, 1-propanoate
Property Insights of 1,2-Heptanediol, 1-propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Heptanediol, 1-propanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 1,2-Heptanediol, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Heptanediol, 1-propanoate 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-propanoate?
The CAS number of 1,2-Heptanediol, 1-propanoate is 67845-56-1.
What is the molecular formula of 1,2-Heptanediol, 1-propanoate?
The molecular formula of 1,2-Heptanediol, 1-propanoate is C10H20O3.
What is the molecular weight of 1,2-Heptanediol, 1-propanoate?
The molecular weight of 1,2-Heptanediol, 1-propanoate is 188.14 g/mol.
Where can I buy 1,2-Heptanediol, 1-propanoate?
You can request a quote for 1,2-Heptanediol, 1-propanoate 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-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Heptanediol, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.