3-(Tert-butylsulfinyl)propanoic acid
TL;DR: 3-(Tert-butylsulfinyl)propanoic acid (CAS 3680-13-5) is a chemical compound with molecular formula C7H14O3S and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfinylpropanoic acid
Also Known As: 3-(tert-butylsulfinyl)propanoic acid, Calcitonin Impurity 15, 3-tert-butylsulfinylpropanoic acid, 3-(tert-butylsulfinyl)propanoicacid, 3-[(tert-butyl)sulfinyl]propanoic acid
| Molecular Formula | C7H14O3S |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 1.0083 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06636 |
| Heavy Atoms | 11 |
| Complexity | 169.01472 |
Chemical Identifiers
| CAS Number | 3680-13-5 |
|---|---|
| SMILES | CC(C)(C)S(=O)CCC(=O)O |
Product Overview
3-(Tert-butylsulfinyl)propanoic acid (CAS 3680-13-5), with molecular formula C7H14O3S and molecular weight 178.07 g/mol. IUPAC: 3-tert-butylsulfinylpropanoic acid.
Chemical Property Profile of 3-(Tert-butylsulfinyl)propanoic acid
Property Insights of 3-(Tert-butylsulfinyl)propanoic acid
The XLogP value of 1.0083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butylsulfinyl)propanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(Tert-butylsulfinyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butylsulfinyl)propanoic acid has 1 hydrogen bond donor(s) and 2 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 3-(Tert-butylsulfinyl)propanoic acid?
The CAS number of 3-(Tert-butylsulfinyl)propanoic acid is 3680-13-5.
What is the molecular formula of 3-(Tert-butylsulfinyl)propanoic acid?
The molecular formula of 3-(Tert-butylsulfinyl)propanoic acid is C7H14O3S.
What is the molecular weight of 3-(Tert-butylsulfinyl)propanoic acid?
The molecular weight of 3-(Tert-butylsulfinyl)propanoic acid is 178.07 g/mol.
Where can I buy 3-(Tert-butylsulfinyl)propanoic acid?
You can request a quote for 3-(Tert-butylsulfinyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butylsulfinyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butylsulfinyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.