Pantothenate kinase-IN-1
TL;DR: Pantothenate kinase-IN-1 (CAS 1024168-48-6) is a chemical compound with molecular formula C21H25N5O and molecular weight 363.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
Also Known As: Pantothenate kinase-IN-1, 4-(5-cyanopyridin-2-yl)-N-(4-tert-butylphenyl)piperazine-1-carboxamide, N-(4-tert-butylphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide
| Molecular Formula | C21H25N5O |
|---|---|
| Molecular Weight | 363.21 g/mol |
| LogP | 3.60488 |
| Topological Polar Surface Area | 72.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.2059 |
| Heavy Atoms | 27 |
| Complexity | 822.8611 |
Chemical Identifiers
| CAS Number | 1024168-48-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N |
Product Overview
Pantothenate kinase-IN-1 (CAS 1024168-48-6), with molecular formula C21H25N5O and molecular weight 363.21 g/mol. IUPAC: N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide.
Chemical Property Profile of Pantothenate kinase-IN-1
Property Insights of Pantothenate kinase-IN-1
The XLogP value of 3.60488 indicates that Pantothenate kinase-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Pantothenate kinase-IN-1. Following Lipinski's Rule of Five, Pantothenate kinase-IN-1 has 1 hydrogen bond donor(s) and 4 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 Pantothenate kinase-IN-1?
The CAS number of Pantothenate kinase-IN-1 is 1024168-48-6.
What is the molecular formula of Pantothenate kinase-IN-1?
The molecular formula of Pantothenate kinase-IN-1 is C21H25N5O.
What is the molecular weight of Pantothenate kinase-IN-1?
The molecular weight of Pantothenate kinase-IN-1 is 363.21 g/mol.
Where can I buy Pantothenate kinase-IN-1?
You can request a quote for Pantothenate kinase-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pantothenate kinase-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Pantothenate kinase-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.