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1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate
TL;DR: 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate (CAS 4368-59-6) 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.
methyl 1-(1-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
Also Known As: DIMETHYL 1,1'-BICYCLOHEXANEDICARBOXYLATE, Dimethyl 1,1 -bicyclohexanedicarboxylate, J1.427.376J, methyl 1-(1-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate, [1,1'-Bicyclohexyl]-1,1'-dicarboxylic acid, dimethyl ester
| Molecular Formula | C16H26O4 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.1831 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 4368-59-6 |
|---|---|
| SMILES | COC(=O)C1(CCCCC1)C2(CCCCC2)C(=O)OC |
| InChIKey | DEUBRYMWLMOEKO-UHFFFAOYSA-N |
Product Overview
1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate (CAS 4368-59-6), with molecular formula C16H26O4 and molecular weight 282.18 g/mol. IUPAC: methyl 1-(1-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate.
Chemical Property Profile of 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate
Property Insights of 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate
The XLogP value of 3.8 indicates that 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate 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 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate?
The CAS number of 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate is 4368-59-6.
What is the molecular formula of 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate?
The molecular formula of 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate is C16H26O4.
What is the molecular weight of 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate?
The molecular weight of 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate is 282.18 g/mol.
Where can I buy 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate?
You can request a quote for 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Dimethyl [1,1'-bicyclohexyl]-1,1'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.