2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid
TL;DR: 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid (CAS 904816-06-4) is a chemical compound with molecular formula C14H21N3O4 and molecular weight 295.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-3-carboxylic acid
Also Known As: 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid, 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-3-carboxylic Acid, 2-[(3-{[(tert-Butoxy)carbonyl]amino}propyl)amino]pyridine-3-carboxylic acid, 2-(3-chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane, 2-(3-tert-butoxycarbonylaminopropylamino)nicotinic acid
| Molecular Formula | C14H21N3O4 |
|---|---|
| Molecular Weight | 295.15 g/mol |
| LogP | 2.1065 |
| Topological Polar Surface Area | 100.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1532 |
| Heavy Atoms | 21 |
| Complexity | 497.23764 |
Chemical Identifiers
| CAS Number | 904816-06-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCNC1=C(C=CC=N1)C(=O)O |
Product Overview
2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid (CAS 904816-06-4), with molecular formula C14H21N3O4 and molecular weight 295.15 g/mol. IUPAC: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid
Property Insights of 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid
The XLogP value of 2.1065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid. The TPSA of 100.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid. Following Lipinski's Rule of Five, 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid has 3 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 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid?
The CAS number of 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid is 904816-06-4.
What is the molecular formula of 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid?
The molecular formula of 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid is C14H21N3O4.
What is the molecular weight of 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid?
The molecular weight of 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid is 295.15 g/mol.
Where can I buy 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid?
You can request a quote for 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-tert-Butoxycarbonylamino-propylamino)-nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.