CBKinase1_003775
TL;DR: CBKinase1_003775 (CAS 369402-83-5) is a chemical compound with molecular formula C23H28N2O3S2 and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: CBKinase1_003775, CBKinase1_016175, BRD-A87997288-001-01-1, 2-({3-[(4-tert-butylphenyl)sulfonyl]-2-hydroxypropyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C23H28N2O3S2 |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 4.05648 |
| Topological Polar Surface Area | 91.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.15414 |
| Heavy Atoms | 30 |
| Complexity | 1049.5814 |
Chemical Identifiers
| CAS Number | 369402-83-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(CSC2=C(C=C3CCCCC3=N2)C#N)O |
Product Overview
CBKinase1_003775 (CAS 369402-83-5), with molecular formula C23H28N2O3S2 and molecular weight 444.15 g/mol. IUPAC: 2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of CBKinase1_003775
Property Insights of CBKinase1_003775
The XLogP value of 4.05648 indicates that CBKinase1_003775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003775. Following Lipinski's Rule of Five, CBKinase1_003775 has 1 hydrogen bond donor(s) and 6 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_003775?
The CAS number of CBKinase1_003775 is 369402-83-5.
What is the molecular formula of CBKinase1_003775?
The molecular formula of CBKinase1_003775 is C23H28N2O3S2.
What is the molecular weight of CBKinase1_003775?
The molecular weight of CBKinase1_003775 is 444.15 g/mol.
Where can I buy CBKinase1_003775?
You can request a quote for CBKinase1_003775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003775?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.