1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane
TL;DR: 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane (CAS 6631-15-8) is a chemical compound with molecular formula C17H24O10 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3S,4S,5R)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate
Also Known As: 1,2,3,4-Tamc, KST-1A7258, 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane, 1,2,3,4-tetraacetoxy-5- cyclohexane, J1.085.397D
| Molecular Formula | C17H24O10 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 388.13693 |
| Heavy Atoms | 27 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 6631-15-8 |
|---|---|
| SMILES | CC(=O)OC[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | NHQQATCRVHXHKV-MTSZKFMLSA-N |
Product Overview
1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane (CAS 6631-15-8), with molecular formula C17H24O10 and molecular weight 388.14 g/mol. IUPAC: [(1R,2R,3S,4S,5R)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate.
Chemical Property Profile of 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane
Property Insights of 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane. Following Lipinski's Rule of Five, 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane has 0 hydrogen bond donor(s) and 10 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 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane?
The CAS number of 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane is 6631-15-8.
What is the molecular formula of 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane?
The molecular formula of 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane is C17H24O10.
What is the molecular weight of 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane?
The molecular weight of 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane is 388.14 g/mol.
Where can I buy 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane?
You can request a quote for 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetraacetoxy-5-(acetoxymethyl)cyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.