3-Heptanyl acetate
TL;DR: 3-Heptanyl acetate (CAS 59651-63-7) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptan-3-yl acetate
Also Known As: heptan-3-yl acetate, 3-heptanol, acetate, 3-HEPTYL ACETATE, 3-Heptanyl acetate, 1-Ethylpentyl acetate
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 59651-63-7 |
|---|---|
| SMILES | CCCCC(CC)OC(=O)C |
| InChIKey | QICIMADZMWGDTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Heptanyl acetate (CAS 59651-63-7), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: heptan-3-yl acetate.
Chemical Property Profile of 3-Heptanyl acetate
Property Insights of 3-Heptanyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptanyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Heptanyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptanyl acetate has 0 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 3-Heptanyl acetate?
The CAS number of 3-Heptanyl acetate is 59651-63-7.
What is the molecular formula of 3-Heptanyl acetate?
The molecular formula of 3-Heptanyl acetate is C9H18O2.
What is the molecular weight of 3-Heptanyl acetate?
The molecular weight of 3-Heptanyl acetate is 158.13 g/mol.
Where can I buy 3-Heptanyl acetate?
You can request a quote for 3-Heptanyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptanyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptanyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.