Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid
TL;DR: Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid (CAS 56624-44-3) is a chemical compound with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(benzylcarbamothioylsulfanyl)propanoate
Also Known As: methyl 3-(benzylcarbamothioylsulfanyl)propanoate, Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid, Methyl 3-[(benzylcarbamothioyl)sulfanyl]propanoate, beta-(Benzylamino-thiocarbonyl-mercapto)-propionsaeure methylaester, beta-(Benzylamino-thiocarbonyl-mercapto)-propionsaeure methylaester [German]
| Molecular Formula | C12H15NO2S2 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.3574 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.0544 |
| Heavy Atoms | 17 |
| Complexity | 368.0282 |
Chemical Identifiers
| CAS Number | 56624-44-3 |
|---|---|
| SMILES | COC(=O)CCSC(=S)NCC1=CC=CC=C1 |
Product Overview
Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid (CAS 56624-44-3), with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol. IUPAC: methyl 3-(benzylcarbamothioylsulfanyl)propanoate.
Chemical Property Profile of Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid
Property Insights of Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid
The XLogP value of 2.3574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid. With a topological polar surface area (TPSA) of 38.33 Ų, Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid has 1 hydrogen bond donor(s) and 4 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 Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid?
The CAS number of Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid is 56624-44-3.
What is the molecular formula of Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid?
The molecular formula of Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid is C12H15NO2S2.
What is the molecular weight of Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid?
The molecular weight of Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid is 269.05 g/mol.
Where can I buy Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid?
You can request a quote for Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.