benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate
TL;DR: benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate (CAS 1008701-62-9) is a chemical compound with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[4-methylsulfanyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]carbamate
Also Known As: benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate, benzyl {4-(methylsulfanyl)-1-oxo-1-[(pyridin-3-ylmethyl)amino]butan-2-yl}carbamate, benzyl N-[4-methylsulfanyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]carbamate
| Molecular Formula | C19H23N3O3S |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 2.7459 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.14603 |
| Heavy Atoms | 26 |
| Complexity | 682.9434 |
Chemical Identifiers
| CAS Number | 1008701-62-9 |
|---|---|
| SMILES | CSCCC(C(=O)NCC1=CN=CC=C1)NC(=O)OCC2=CC=CC=C2 |
Product Overview
benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate (CAS 1008701-62-9), with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol. IUPAC: benzyl N-[4-methylsulfanyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]carbamate.
Chemical Property Profile of benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate
Property Insights of benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate
The XLogP value of 2.7459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate. Following Lipinski's Rule of Five, benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate has 2 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 benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate?
The CAS number of benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate is 1008701-62-9.
What is the molecular formula of benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate?
The molecular formula of benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate is C19H23N3O3S.
What is the molecular weight of benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate?
The molecular weight of benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate is 373.15 g/mol.
Where can I buy benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate?
You can request a quote for benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (4-(methylthio)-1-oxo-1-((pyridin-3-ylmethyl)amino)butan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.