3-(Dodecylcarbamothioylsulfanyl)propanoic acid
TL;DR: 3-(Dodecylcarbamothioylsulfanyl)propanoic acid (CAS 6317-13-1) is a chemical compound with molecular formula C16H31NO2S2 and molecular weight 333.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dodecylcarbamothioylsulfanyl)propanoic acid
Also Known As: 3- propanoicacid, 3-(dodecylcarbamothioylsulfanyl)propanoic acid, 3-(dodecylthiocarbamoylsulfanyl)propanoic acid, 3-{[(Dodecylamino)carbonothioyl]thio}propanoic acid, Propanoic acid,3-[[(dodecylamino)thioxomethyl]thio]-
| Molecular Formula | C16H31NO2S2 |
|---|---|
| Molecular Weight | 333.18 g/mol |
| LogP | 4.9897 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 333.17963 |
| Heavy Atoms | 21 |
| Complexity | 273.0026 |
Chemical Identifiers
| CAS Number | 6317-13-1 |
|---|---|
| SMILES | CCCCCCCCCCCCNC(=S)SCCC(=O)O |
Product Overview
3-(Dodecylcarbamothioylsulfanyl)propanoic acid (CAS 6317-13-1), with molecular formula C16H31NO2S2 and molecular weight 333.18 g/mol. IUPAC: 3-(dodecylcarbamothioylsulfanyl)propanoic acid.
Chemical Property Profile of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid
Property Insights of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid
The XLogP value of 4.9897 indicates that 3-(Dodecylcarbamothioylsulfanyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 3-(Dodecylcarbamothioylsulfanyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dodecylcarbamothioylsulfanyl)propanoic acid has 2 hydrogen bond donor(s) and 3 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-(Dodecylcarbamothioylsulfanyl)propanoic acid?
The CAS number of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid is 6317-13-1.
What is the molecular formula of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid?
The molecular formula of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid is C16H31NO2S2.
What is the molecular weight of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid?
The molecular weight of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid is 333.18 g/mol.
Where can I buy 3-(Dodecylcarbamothioylsulfanyl)propanoic acid?
You can request a quote for 3-(Dodecylcarbamothioylsulfanyl)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-(Dodecylcarbamothioylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dodecylcarbamothioylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.