2,3-Dimercaptopropan-1-ol tributyrate
TL;DR: 2,3-Dimercaptopropan-1-ol tributyrate (CAS 58429-82-6) is a chemical compound with molecular formula C15H26O4S2 and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(butanoylsulfanyl)propyl butanoate
Also Known As: Bal-tributyrate, Tbdmp cpd, 2,3-Dimercapto-1-propanol tributyrate, BAL tributyrate, Dimercaprol butyrate
| Molecular Formula | C15H26O4S2 |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.12726 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 58429-82-6 |
|---|---|
| SMILES | CCCC(=O)OCC(CSC(=O)CCC)SC(=O)CCC |
| InChIKey | NHBKXEKEPDILRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimercaptopropan-1-ol tributyrate (CAS 58429-82-6), with molecular formula C15H26O4S2 and molecular weight 334.13 g/mol. IUPAC: 2,3-bis(butanoylsulfanyl)propyl butanoate.
Chemical Property Profile of 2,3-Dimercaptopropan-1-ol tributyrate
Property Insights of 2,3-Dimercaptopropan-1-ol tributyrate
The XLogP value of 3.5 indicates that 2,3-Dimercaptopropan-1-ol tributyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimercaptopropan-1-ol tributyrate. Following Lipinski's Rule of Five, 2,3-Dimercaptopropan-1-ol tributyrate has 0 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 2,3-Dimercaptopropan-1-ol tributyrate?
The CAS number of 2,3-Dimercaptopropan-1-ol tributyrate is 58429-82-6.
What is the molecular formula of 2,3-Dimercaptopropan-1-ol tributyrate?
The molecular formula of 2,3-Dimercaptopropan-1-ol tributyrate is C15H26O4S2.
What is the molecular weight of 2,3-Dimercaptopropan-1-ol tributyrate?
The molecular weight of 2,3-Dimercaptopropan-1-ol tributyrate is 334.13 g/mol.
Where can I buy 2,3-Dimercaptopropan-1-ol tributyrate?
You can request a quote for 2,3-Dimercaptopropan-1-ol tributyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimercaptopropan-1-ol tributyrate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimercaptopropan-1-ol tributyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.