3-Hydroxy-2-methylpentyl propionate
TL;DR: 3-Hydroxy-2-methylpentyl propionate (CAS 55109-53-0) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2-methylpentyl) propanoate
Also Known As: 3-Hydroxy-2-methylpentyl propionate, 1,3-Pentanediol, 2-methyl-, 1-propanoate, (3-hydroxy-2-methylpentyl) propanoate, 3-HYDROXY-2-METHYLPENTYL PROPANOATE, 3-Hydroxy-2-methylpentyl propionate #
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 55109-53-0 |
|---|---|
| SMILES | CCC(C(C)COC(=O)CC)O |
| InChIKey | GRWIYERGGXHXIS-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-2-methylpentyl propionate (CAS 55109-53-0), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: (3-hydroxy-2-methylpentyl) propanoate.
Chemical Property Profile of 3-Hydroxy-2-methylpentyl propionate
Property Insights of 3-Hydroxy-2-methylpentyl propionate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-methylpentyl propionate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxy-2-methylpentyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-methylpentyl propionate 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 3-Hydroxy-2-methylpentyl propionate?
The CAS number of 3-Hydroxy-2-methylpentyl propionate is 55109-53-0.
What is the molecular formula of 3-Hydroxy-2-methylpentyl propionate?
The molecular formula of 3-Hydroxy-2-methylpentyl propionate is C9H18O3.
What is the molecular weight of 3-Hydroxy-2-methylpentyl propionate?
The molecular weight of 3-Hydroxy-2-methylpentyl propionate is 174.13 g/mol.
Where can I buy 3-Hydroxy-2-methylpentyl propionate?
You can request a quote for 3-Hydroxy-2-methylpentyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-methylpentyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-methylpentyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.