Cyclohexane-1,2,4-tris(methylenesulfonate)
TL;DR: Cyclohexane-1,2,4-tris(methylenesulfonate) (CAS 18252-44-3) is a chemical compound with molecular formula C9H18O9S3 and molecular weight 366.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,4R)-3,4-bis(sulfomethyl)cyclohexyl]methanesulfonic acid
Also Known As: CTMS, beta-Copaene, cis-beta-Copaene, KST-1A2180, Cyclohexane-1,2,4-tris(methylenesulfonate)
| Molecular Formula | C9H18O9S3 |
|---|---|
| Molecular Weight | 366.01 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.0113 |
| Heavy Atoms | 21 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 18252-44-3 |
|---|---|
| SMILES | C1C[C@H]([C@H](C[C@@H]1CS(=O)(=O)O)CS(=O)(=O)O)CS(=O)(=O)O |
| InChIKey | ZFKUCQBXDACBMI-HRDYMLBCSA-N |
Product Overview
Cyclohexane-1,2,4-tris(methylenesulfonate) (CAS 18252-44-3), with molecular formula C9H18O9S3 and molecular weight 366.01 g/mol. IUPAC: [(1R,3S,4R)-3,4-bis(sulfomethyl)cyclohexyl]methanesulfonic acid.
Chemical Property Profile of Cyclohexane-1,2,4-tris(methylenesulfonate)
Property Insights of Cyclohexane-1,2,4-tris(methylenesulfonate)
The XLogP value of -1.5 indicates that Cyclohexane-1,2,4-tris(methylenesulfonate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting Cyclohexane-1,2,4-tris(methylenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclohexane-1,2,4-tris(methylenesulfonate) has 3 hydrogen bond donor(s) and 9 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 Cyclohexane-1,2,4-tris(methylenesulfonate)?
The CAS number of Cyclohexane-1,2,4-tris(methylenesulfonate) is 18252-44-3.
What is the molecular formula of Cyclohexane-1,2,4-tris(methylenesulfonate)?
The molecular formula of Cyclohexane-1,2,4-tris(methylenesulfonate) is C9H18O9S3.
What is the molecular weight of Cyclohexane-1,2,4-tris(methylenesulfonate)?
The molecular weight of Cyclohexane-1,2,4-tris(methylenesulfonate) is 366.01 g/mol.
Where can I buy Cyclohexane-1,2,4-tris(methylenesulfonate)?
You can request a quote for Cyclohexane-1,2,4-tris(methylenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,2,4-tris(methylenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,2,4-tris(methylenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.