3-Methylheptyl acetate
TL;DR: 3-Methylheptyl acetate (CAS 72218-58-7) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylheptyl acetate
Also Known As: 3-Methylheptyl acetate, 3-methyl heptyl acetate, Acetic acid 3-methylheptyl ester, 1-Heptanol,3-methyl-,1-acetate, 1-Heptanol, 3-methyl-,1-acetate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 72218-58-7 |
|---|---|
| SMILES | CCCCC(C)CCOC(=O)C |
| InChIKey | SFCRZVSQIVWLKR-UHFFFAOYSA-N |
Product Overview
3-Methylheptyl acetate (CAS 72218-58-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 3-methylheptyl acetate.
Chemical Property Profile of 3-Methylheptyl acetate
Property Insights of 3-Methylheptyl acetate
The XLogP value of 3.4 indicates that 3-Methylheptyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylheptyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylheptyl 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-Methylheptyl acetate?
The CAS number of 3-Methylheptyl acetate is 72218-58-7.
What is the molecular formula of 3-Methylheptyl acetate?
The molecular formula of 3-Methylheptyl acetate is C10H20O2.
What is the molecular weight of 3-Methylheptyl acetate?
The molecular weight of 3-Methylheptyl acetate is 172.15 g/mol.
Where can I buy 3-Methylheptyl acetate?
You can request a quote for 3-Methylheptyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylheptyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylheptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.