![calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate structure](/static/products/1343/13439-89-9.webp)
calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate
TL;DR: calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate (CAS 13439-89-9) is a chemical compound with molecular formula C20H30CaO8S2 and molecular weight 502.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis([(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate)
Also Known As: calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate, calcium bis{[(1s,4s)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate}
| Molecular Formula | C20H30CaO8S2 |
|---|---|
| Molecular Weight | 502.10 g/mol |
| LogP | 1.4732 |
| Topological Polar Surface Area | 148.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.1008 |
| Heavy Atoms | 31 |
| Complexity | 904.65 |
Chemical Identifiers
| CAS Number | 13439-89-9 |
|---|---|
| SMILES | CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)[O-])C.CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)[O-])C.[Ca+2] |
Product Overview
calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate (CAS 13439-89-9), with molecular formula C20H30CaO8S2 and molecular weight 502.10 g/mol. IUPAC: calcium bis([(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate).
Chemical Property Profile of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate
Property Insights of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate
The XLogP value of 1.4732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate. The TPSA of 148.54 Ų indicates high polarity, suggesting calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate?
The CAS number of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate is 13439-89-9.
What is the molecular formula of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate?
The molecular formula of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate is C20H30CaO8S2.
What is the molecular weight of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate?
The molecular weight of calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate is 502.10 g/mol.
Where can I buy calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate?
You can request a quote for calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for calcium [(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.