JTV-803 free base
TL;DR: JTV-803 free base (CAS 247131-06-2) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid
Also Known As: JTV-803 free base, 4-Piperidinecarboxylic acid, 4-(((2-(aminoiminomethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)methyl)-1-(4-pyridinyl)-, 4-(((2-Carbamimidoyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy)methyl)-1-(pyridin-4-yl)piperidine-4-carboxylic acid, 4-(2-amidino-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-(pyridin-4-yl)piperidine-4-carboxylic acid, 4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxymethyl)-3,4,5,6-tetrahydro-2H-[1,4'''']bipyridinyl-4-carboxylic acid; compound with GENERIC INORGANIC NEUTRAL COMPONENT
| Molecular Formula | C22H27N5O3 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 2.08337 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.2114 |
| Heavy Atoms | 30 |
| Complexity | 925.6252 |
Chemical Identifiers
| CAS Number | 247131-06-2 |
|---|---|
| SMILES | C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N |
Product Overview
JTV-803 free base (CAS 247131-06-2), with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol. IUPAC: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid.
Chemical Property Profile of JTV-803 free base
Property Insights of JTV-803 free base
The XLogP value of 2.08337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for JTV-803 free base. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for JTV-803 free base. Following Lipinski's Rule of Five, JTV-803 free base 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 JTV-803 free base?
The CAS number of JTV-803 free base is 247131-06-2.
What is the molecular formula of JTV-803 free base?
The molecular formula of JTV-803 free base is C22H27N5O3.
What is the molecular weight of JTV-803 free base?
The molecular weight of JTV-803 free base is 409.21 g/mol.
Where can I buy JTV-803 free base?
You can request a quote for JTV-803 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JTV-803 free base?
Yes, KEHONG BIO provides custom synthesis services for JTV-803 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.