CBKinase1_007081
TL;DR: CBKinase1_007081 (CAS 708241-40-1) is a chemical compound with molecular formula C23H26N4O5S and molecular weight 470.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline
Also Known As: CBKinase1_007081, CBKinase1_019481, BRD-K43423715-001-01-2, 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline, 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-N-(furan-2-ylmethyl)-2-nitroaniline
| Molecular Formula | C23H26N4O5S |
|---|---|
| Molecular Weight | 470.16 g/mol |
| LogP | 3.92764 |
| Topological Polar Surface Area | 108.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.16238 |
| Heavy Atoms | 33 |
| Complexity | 1249.8611 |
Chemical Identifiers
| CAS Number | 708241-40-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)C |
Product Overview
CBKinase1_007081 (CAS 708241-40-1), with molecular formula C23H26N4O5S and molecular weight 470.16 g/mol. IUPAC: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline.
Chemical Property Profile of CBKinase1_007081
Property Insights of CBKinase1_007081
The XLogP value of 3.92764 indicates that CBKinase1_007081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007081. Following Lipinski's Rule of Five, CBKinase1_007081 has 1 hydrogen bond donor(s) and 7 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_007081?
The CAS number of CBKinase1_007081 is 708241-40-1.
What is the molecular formula of CBKinase1_007081?
The molecular formula of CBKinase1_007081 is C23H26N4O5S.
What is the molecular weight of CBKinase1_007081?
The molecular weight of CBKinase1_007081 is 470.16 g/mol.
Where can I buy CBKinase1_007081?
You can request a quote for CBKinase1_007081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007081?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.