![Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate structure](/static/products/7091/70916-31-3.webp)
Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate
TL;DR: Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate (CAS 70916-31-3) is a chemical compound with molecular formula C8H15CaNO6S and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate
Also Known As: Pantoyltaurine, D-(-)-Pantoyltaurine, calcium salt, calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate, Ethanesulfonic acid, 2-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, calcium salt, Calcium 2-(4-hydroxy-3,3-dimethyl-2-oxidobutanamido)ethane-1-sulfonate
| Molecular Formula | C8H15CaNO6S |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | -2.99 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.0246 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 70916-31-3 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCCS(=O)(=O)[O-])[O-].[Ca+2] |
| InChIKey | RENGJRCTESDCSY-UHFFFAOYSA-M |
Product Overview
Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate (CAS 70916-31-3), with molecular formula C8H15CaNO6S and molecular weight 293.02 g/mol. IUPAC: calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate.
Chemical Property Profile of Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate
Property Insights of Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate
The XLogP value of -2.99 indicates that Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate. Following Lipinski's Rule of Five, Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate has 2 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 Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate?
The CAS number of Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate is 70916-31-3.
What is the molecular formula of Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate?
The molecular formula of Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate is C8H15CaNO6S.
What is the molecular weight of Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate?
The molecular weight of Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate is 293.02 g/mol.
Where can I buy Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate?
You can request a quote for Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 2-[(4-hydroxy-3,3-dimethyl-2-oxidobutanoyl)amino]ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.