trans-2-Hexenyl lactate
TL;DR: trans-2-Hexenyl lactate (CAS 85554-71-8) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-enyl 2-hydroxypropanoate
Also Known As: (E)-Hex-2-enyl lactate, TRANS-2-HEXENYL LACTATE, trans-2-Hexen-1-yl Lactate, EINECS 287-603-4, Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (E)-
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.2667 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 149.85263 |
Chemical Identifiers
| CAS Number | 85554-71-8 |
|---|---|
| SMILES | CCCC=CCOC(=O)C(C)O |
Product Overview
trans-2-Hexenyl lactate (CAS 85554-71-8), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: hex-2-enyl 2-hydroxypropanoate.
Chemical Property Profile of trans-2-Hexenyl lactate
Property Insights of trans-2-Hexenyl lactate
The XLogP value of 1.2667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Hexenyl lactate. With a topological polar surface area (TPSA) of 46.53 Ų, trans-2-Hexenyl lactate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Hexenyl lactate 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 trans-2-Hexenyl lactate?
The CAS number of trans-2-Hexenyl lactate is 85554-71-8.
What is the molecular formula of trans-2-Hexenyl lactate?
The molecular formula of trans-2-Hexenyl lactate is C9H16O3.
What is the molecular weight of trans-2-Hexenyl lactate?
The molecular weight of trans-2-Hexenyl lactate is 172.11 g/mol.
Where can I buy trans-2-Hexenyl lactate?
You can request a quote for trans-2-Hexenyl lactate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Hexenyl lactate?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Hexenyl lactate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.