Methyl 6-((tert-butoxycarbonyl)amino)nicotinate
TL;DR: Methyl 6-((tert-butoxycarbonyl)amino)nicotinate (CAS 144189-33-3) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
Also Known As: Methyl 6-((tert-butoxycarbonyl)amino)nicotinate, methyl 6-[(tert-butoxycarbonyl)amino]nicotinate, methylbutoxycarbonylaminonicotinate, Methyl 6-(Boc-amino)nicotinate, 1,1-dichloropropan-2-ol,phosphoric acid
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 2.2152 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 434.38577 |
Chemical Identifiers
| CAS Number | 144189-33-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(=O)OC |
Product Overview
Methyl 6-((tert-butoxycarbonyl)amino)nicotinate (CAS 144189-33-3), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-((tert-butoxycarbonyl)amino)nicotinate
Property Insights of Methyl 6-((tert-butoxycarbonyl)amino)nicotinate
The XLogP value of 2.2152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-((tert-butoxycarbonyl)amino)nicotinate. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-((tert-butoxycarbonyl)amino)nicotinate. Following Lipinski's Rule of Five, Methyl 6-((tert-butoxycarbonyl)amino)nicotinate has 1 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 6-((tert-butoxycarbonyl)amino)nicotinate?
The CAS number of Methyl 6-((tert-butoxycarbonyl)amino)nicotinate is 144189-33-3.
What is the molecular formula of Methyl 6-((tert-butoxycarbonyl)amino)nicotinate?
The molecular formula of Methyl 6-((tert-butoxycarbonyl)amino)nicotinate is C12H16N2O4.
What is the molecular weight of Methyl 6-((tert-butoxycarbonyl)amino)nicotinate?
The molecular weight of Methyl 6-((tert-butoxycarbonyl)amino)nicotinate is 252.11 g/mol.
Where can I buy Methyl 6-((tert-butoxycarbonyl)amino)nicotinate?
You can request a quote for Methyl 6-((tert-butoxycarbonyl)amino)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-((tert-butoxycarbonyl)amino)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-((tert-butoxycarbonyl)amino)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.