RefChem:411450
TL;DR: RefChem:411450 (CAS 69178-39-8) is a chemical compound with molecular formula C20H35NO7 and molecular weight 401.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexane-1-carboxylic acid
Also Known As: 2-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}cyclohexanecarboxylic acid, [2-[[(6-Amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen cyclohexane-1,2-dicarboxylate, 1,2-Cyclohexanedicarboxylic acid, 1-(2-(((6-amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) ester, 1,2-Cyclohexanedicarboxylic acid, mono(2-(((6-amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) ester, 1,2-Cyclohexanedicarboxylic acid, 1-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester
| Molecular Formula | C20H35NO7 |
|---|---|
| Molecular Weight | 401.24 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 401.24136 |
| Heavy Atoms | 28 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 69178-39-8 |
|---|---|
| SMILES | CCC(CO)(COC(=O)CCCCCN)COC(=O)C1CCCCC1C(=O)O |
| InChIKey | CPEPBVDDMUAZAA-UHFFFAOYSA-N |
Product Overview
RefChem:411450 (CAS 69178-39-8), with molecular formula C20H35NO7 and molecular weight 401.24 g/mol. IUPAC: 2-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexane-1-carboxylic acid.
Chemical Property Profile of RefChem:411450
Property Insights of RefChem:411450
The XLogP value of -0.8 indicates that RefChem:411450 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:411450. Following Lipinski's Rule of Five, RefChem:411450 has 3 hydrogen bond donor(s) and 8 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 RefChem:411450?
The CAS number of RefChem:411450 is 69178-39-8.
What is the molecular formula of RefChem:411450?
The molecular formula of RefChem:411450 is C20H35NO7.
What is the molecular weight of RefChem:411450?
The molecular weight of RefChem:411450 is 401.24 g/mol.
Where can I buy RefChem:411450?
You can request a quote for RefChem:411450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:411450?
Yes, KEHONG BIO provides custom synthesis services for RefChem:411450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.