Pantoylaurine
TL;DR: Pantoylaurine (CAS 2545-84-8) is a chemical compound with molecular formula C8H17NO6S and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonic acid
Also Known As: Pantoyltaurine, Pantoylaurine, Pantoyl taurine, Thiopanic acid, Sulfopantothenic acid
| Molecular Formula | C8H17NO6S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.07765 |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 2545-84-8 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCCS(=O)(=O)O)O |
| InChIKey | IZRUXXTXKZAGQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pantoylaurine (CAS 2545-84-8), with molecular formula C8H17NO6S and molecular weight 255.08 g/mol. IUPAC: 2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonic acid.
Chemical Property Profile of Pantoylaurine
Property Insights of Pantoylaurine
The XLogP value of -1.7 indicates that Pantoylaurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pantoylaurine. Following Lipinski's Rule of Five, Pantoylaurine has 4 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 Pantoylaurine?
The CAS number of Pantoylaurine is 2545-84-8.
What is the molecular formula of Pantoylaurine?
The molecular formula of Pantoylaurine is C8H17NO6S.
What is the molecular weight of Pantoylaurine?
The molecular weight of Pantoylaurine is 255.08 g/mol.
Where can I buy Pantoylaurine?
You can request a quote for Pantoylaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pantoylaurine?
Yes, KEHONG BIO provides custom synthesis services for Pantoylaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.