2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate
TL;DR: 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate (CAS 67905-23-1) is a chemical compound with molecular formula C9H18O4S and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate
Also Known As: Trimethylolpropane mono(3-mercaptopropionate), 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate, 2,2-bis butyl3-mercaptopropionate, 2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate, Propanoic acid, 3-mercapto-, 2,2-bis(hydroxymethyl)butyl ester
| Molecular Formula | C9H18O4S |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.09258 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 67905-23-1 |
|---|---|
| SMILES | CCC(CO)(CO)COC(=O)CCS |
| InChIKey | QBVJQXFEWRDCBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate (CAS 67905-23-1), with molecular formula C9H18O4S and molecular weight 222.09 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate
Property Insights of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate has 3 hydrogen bond donor(s) and 5 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 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate?
The CAS number of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate is 67905-23-1.
What is the molecular formula of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate?
The molecular formula of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate is C9H18O4S.
What is the molecular weight of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate?
The molecular weight of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate is 222.09 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate?
You can request a quote for 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.