(3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate
TL;DR: (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate (CAS 10017-59-1) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(acetyloxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methyl acetate
Also Known As: KST-1A0314, 3,2-DIMETHANOL, DIACETATE, (3,6-dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate, (3,6-Dimethylcyclohex-4-ene-1,2-diyl)bis(methylene) diacetate, [6-(acetyloxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methyl acetate
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 10017-59-1 |
|---|---|
| SMILES | CC1C=CC(C(C1COC(=O)C)COC(=O)C)C |
| InChIKey | FCIWRRSIXSLTMY-UHFFFAOYSA-N |
Product Overview
(3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate (CAS 10017-59-1), with molecular formula C14H22O4 and molecular weight 254.15 g/mol. IUPAC: [6-(acetyloxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methyl acetate.
Chemical Property Profile of (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate
Property Insights of (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate has 0 hydrogen bond donor(s) and 4 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 (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate?
The CAS number of (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate is 10017-59-1.
What is the molecular formula of (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate?
The molecular formula of (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate is C14H22O4.
What is the molecular weight of (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate?
The molecular weight of (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate is 254.15 g/mol.
Where can I buy (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate?
You can request a quote for (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.