trans-octalin
TL;DR: trans-octalin (CAS 57043-35-3) is a chemical compound with molecular formula C14H20O6 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
Also Known As: trans-octalin, 2- ETHYLHEXAHYDROPHTHALATEMONO, 1,2-Cyclohexanedicarboxylic acid, mono(2-((2-methyl-1-oxo-2-propenyl)oxy)ethyl) ester, 2-(METHACRYLOYLOXY)ETHYL HEXAHYDROPHTHALATE MONO, Monoacryloyloxyethy Hexahydrophthalate (mahp)
| Molecular Formula | C14H20O6 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.5399 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.12598 |
| Heavy Atoms | 20 |
| Complexity | 400.46832 |
Chemical Identifiers
| CAS Number | 57043-35-3 |
|---|---|
| SMILES | CC(=C)C(=O)OCCOC(=O)C1CCCCC1C(=O)O |
Product Overview
trans-octalin (CAS 57043-35-3), with molecular formula C14H20O6 and molecular weight 284.13 g/mol. IUPAC: 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of trans-octalin
Property Insights of trans-octalin
The XLogP value of 1.5399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-octalin. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-octalin. Following Lipinski's Rule of Five, trans-octalin has 1 hydrogen bond donor(s) and 5 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-octalin?
The CAS number of trans-octalin is 57043-35-3.
What is the molecular formula of trans-octalin?
The molecular formula of trans-octalin is C14H20O6.
What is the molecular weight of trans-octalin?
The molecular weight of trans-octalin is 284.13 g/mol.
Where can I buy trans-octalin?
You can request a quote for trans-octalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-octalin?
Yes, KEHONG BIO provides custom synthesis services for trans-octalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.