Diisobutyl 1,2,3,6-tetrahydrophthalate
TL;DR: Diisobutyl 1,2,3,6-tetrahydrophthalate (CAS 81667-22-3) is a chemical compound with molecular formula C16H26O4 and molecular weight 282.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) cyclohex-4-ene-1,2-dicarboxylate
Also Known As: diisobutyl 1,2,3,6-tetrahydrophthalate, diisobutyl 4-cyclohexene-1,2-dicarboxylate, bis(2-methylpropyl) cyclohex-4-ene-1,2-dicarboxylate, 1,2,3,6-Tetrahydrophthalic acid diisobutyl ester, 4-Cyclohexene-1,2-dicarboxylic acid, di-(2-methylpropyl) ester
| Molecular Formula | C16H26O4 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 2.9672 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.1831 |
| Heavy Atoms | 20 |
| Complexity | 323.48837 |
Chemical Identifiers
| CAS Number | 81667-22-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1CC=CCC1C(=O)OCC(C)C |
Product Overview
Diisobutyl 1,2,3,6-tetrahydrophthalate (CAS 81667-22-3), with molecular formula C16H26O4 and molecular weight 282.18 g/mol. IUPAC: bis(2-methylpropyl) cyclohex-4-ene-1,2-dicarboxylate.
Chemical Property Profile of Diisobutyl 1,2,3,6-tetrahydrophthalate
Property Insights of Diisobutyl 1,2,3,6-tetrahydrophthalate
The XLogP value of 2.9672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisobutyl 1,2,3,6-tetrahydrophthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Diisobutyl 1,2,3,6-tetrahydrophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutyl 1,2,3,6-tetrahydrophthalate 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 Diisobutyl 1,2,3,6-tetrahydrophthalate?
The CAS number of Diisobutyl 1,2,3,6-tetrahydrophthalate is 81667-22-3.
What is the molecular formula of Diisobutyl 1,2,3,6-tetrahydrophthalate?
The molecular formula of Diisobutyl 1,2,3,6-tetrahydrophthalate is C16H26O4.
What is the molecular weight of Diisobutyl 1,2,3,6-tetrahydrophthalate?
The molecular weight of Diisobutyl 1,2,3,6-tetrahydrophthalate is 282.18 g/mol.
Where can I buy Diisobutyl 1,2,3,6-tetrahydrophthalate?
You can request a quote for Diisobutyl 1,2,3,6-tetrahydrophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyl 1,2,3,6-tetrahydrophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyl 1,2,3,6-tetrahydrophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.