CBKinase1_003637
TL;DR: CBKinase1_003637 (CAS 459147-69-4) is a chemical compound with molecular formula C21H26N2O2S2 and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-tert-butylphenyl)sulfinyl-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
Also Known As: CBKinase1_003637, CBKinase1_016037, BRD-A44278248-001-01-7, 2-[3-(4-tert-butylphenyl)sulfinyl-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile, 2-((3-((4-(tert-butyl)phenyl)sulfinyl)-2-hydroxypropyl)thio)-4,6-dimethylnicotinonitrile
| Molecular Formula | C21H26N2O2S2 |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 4.12842 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.1436 |
| Heavy Atoms | 27 |
| Complexity | 865.47595 |
Chemical Identifiers
| CAS Number | 459147-69-4 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(CS(=O)C2=CC=C(C=C2)C(C)(C)C)O)C |
Product Overview
CBKinase1_003637 (CAS 459147-69-4), with molecular formula C21H26N2O2S2 and molecular weight 402.14 g/mol. IUPAC: 2-[3-(4-tert-butylphenyl)sulfinyl-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of CBKinase1_003637
Property Insights of CBKinase1_003637
The XLogP value of 4.12842 indicates that CBKinase1_003637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003637. Following Lipinski's Rule of Five, CBKinase1_003637 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 CBKinase1_003637?
The CAS number of CBKinase1_003637 is 459147-69-4.
What is the molecular formula of CBKinase1_003637?
The molecular formula of CBKinase1_003637 is C21H26N2O2S2.
What is the molecular weight of CBKinase1_003637?
The molecular weight of CBKinase1_003637 is 402.14 g/mol.
Where can I buy CBKinase1_003637?
You can request a quote for CBKinase1_003637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003637?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.