Methyl 3-(2-mercaptomethyl-propionamido)-picolinate
TL;DR: Methyl 3-(2-mercaptomethyl-propionamido)-picolinate (CAS 91702-97-5) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-methyl-3-sulfanylpropanoyl)amino]pyridine-2-carboxylate
Also Known As: Methyl 3-(2-mercaptomethylpropionamido)picolinate, methyl 3-(2-mercaptomethyl-propionamido)-picolinate, METHYL 3-((3-MERCAPTO-2-METHYL-1-OXOPROPYL)AMINO)PICOLINATE, methyl 3-[(2-methyl-3-sulfanylpropanoyl)amino]pyridine-2-carboxylate
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.3726 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 422.9325 |
Chemical Identifiers
| CAS Number | 91702-97-5 |
|---|---|
| SMILES | CC(CS)C(=O)NC1=C(N=CC=C1)C(=O)OC |
Product Overview
Methyl 3-(2-mercaptomethyl-propionamido)-picolinate (CAS 91702-97-5), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: methyl 3-[(2-methyl-3-sulfanylpropanoyl)amino]pyridine-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-mercaptomethyl-propionamido)-picolinate
Property Insights of Methyl 3-(2-mercaptomethyl-propionamido)-picolinate
The XLogP value of 1.3726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-mercaptomethyl-propionamido)-picolinate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-mercaptomethyl-propionamido)-picolinate. Following Lipinski's Rule of Five, Methyl 3-(2-mercaptomethyl-propionamido)-picolinate 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 Methyl 3-(2-mercaptomethyl-propionamido)-picolinate?
The CAS number of Methyl 3-(2-mercaptomethyl-propionamido)-picolinate is 91702-97-5.
What is the molecular formula of Methyl 3-(2-mercaptomethyl-propionamido)-picolinate?
The molecular formula of Methyl 3-(2-mercaptomethyl-propionamido)-picolinate is C11H14N2O3S.
What is the molecular weight of Methyl 3-(2-mercaptomethyl-propionamido)-picolinate?
The molecular weight of Methyl 3-(2-mercaptomethyl-propionamido)-picolinate is 254.07 g/mol.
Where can I buy Methyl 3-(2-mercaptomethyl-propionamido)-picolinate?
You can request a quote for Methyl 3-(2-mercaptomethyl-propionamido)-picolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-mercaptomethyl-propionamido)-picolinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-mercaptomethyl-propionamido)-picolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.