Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
TL;DR: Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester (CAS 1985-84-8) is a chemical compound with molecular formula C22H34O6 and molecular weight 394.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
Also Known As: Mark-135B, bis[(3,4-Epoxy-6-methylcyclohexyl)methyl] adipate, Di(3,4-epoxy-6-methylcyclohexylmethyl)adipate, Bis(3,4-epoxy-6-methylcyclohexylmethyl)adipate, Bis((3,4-epoxy-6-methylcyclohexyl)methyl) adipate
| Molecular Formula | C22H34O6 |
|---|---|
| Molecular Weight | 394.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 394.23553 |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 1985-84-8 |
|---|---|
| SMILES | CC1CC2C(O2)CC1COC(=O)CCCCC(=O)OCC3CC4C(O4)CC3C |
| InChIKey | LMMDJMWIHPEQSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester (CAS 1985-84-8), with molecular formula C22H34O6 and molecular weight 394.24 g/mol. IUPAC: bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate.
Chemical Property Profile of Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
Property Insights of Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
The XLogP value of 3.2 indicates that Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester. Following Lipinski's Rule of Five, Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester has 0 hydrogen bond donor(s) and 6 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 Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester?
The CAS number of Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester is 1985-84-8.
What is the molecular formula of Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester?
The molecular formula of Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester is C22H34O6.
What is the molecular weight of Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester?
The molecular weight of Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester is 394.24 g/mol.
Where can I buy Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester?
You can request a quote for Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.