Bis(methylcyclohexyl) phthalate
TL;DR: Bis(methylcyclohexyl) phthalate (CAS 111983-16-5) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-methylcyclohexyl) benzene-1,2-dicarboxylate
Also Known As: bis phthalate, Bis(methylcyclohexyl) phthalate, Di(methylcyclohexyl) phthalate, dimethylcyclohexyl phthalate, Di-(methylcyclohexyl)-phthalat
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 5.4458 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 594.861 |
Chemical Identifiers
| CAS Number | 111983-16-5 |
|---|---|
| SMILES | CC1(CCCCC1)OC(=O)C2=CC=CC=C2C(=O)OC3(CCCCC3)C |
Product Overview
Bis(methylcyclohexyl) phthalate (CAS 111983-16-5), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: bis(1-methylcyclohexyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Bis(methylcyclohexyl) phthalate
Property Insights of Bis(methylcyclohexyl) phthalate
The XLogP value of 5.4458 indicates that Bis(methylcyclohexyl) phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(methylcyclohexyl) phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(methylcyclohexyl) phthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(methylcyclohexyl) phthalate?
The CAS number of Bis(methylcyclohexyl) phthalate is 111983-16-5.
What is the molecular formula of Bis(methylcyclohexyl) phthalate?
The molecular formula of Bis(methylcyclohexyl) phthalate is C22H30O4.
What is the molecular weight of Bis(methylcyclohexyl) phthalate?
The molecular weight of Bis(methylcyclohexyl) phthalate is 358.21 g/mol.
Where can I buy Bis(methylcyclohexyl) phthalate?
You can request a quote for Bis(methylcyclohexyl) phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(methylcyclohexyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(methylcyclohexyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.