CBKinase1_010709
TL;DR: CBKinase1_010709 (CAS 717873-92-2) is a chemical compound with molecular formula C26H31N5O4S and molecular weight 509.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline
Also Known As: CBKinase1_010709, CBKinase1_023109, BRD-K31794818-001-01-6, 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline, 2-nitro-N-(pyridin-3-ylmethyl)-5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]aniline
| Molecular Formula | C26H31N5O4S |
|---|---|
| Molecular Weight | 509.21 g/mol |
| LogP | 4.4103 |
| Topological Polar Surface Area | 108.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.2097 |
| Heavy Atoms | 36 |
| Complexity | 1314.6906 |
Chemical Identifiers
| CAS Number | 717873-92-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4 |
Product Overview
CBKinase1_010709 (CAS 717873-92-2), with molecular formula C26H31N5O4S and molecular weight 509.21 g/mol. IUPAC: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline.
Chemical Property Profile of CBKinase1_010709
Property Insights of CBKinase1_010709
The XLogP value of 4.4103 indicates that CBKinase1_010709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.68 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010709. Following Lipinski's Rule of Five, CBKinase1_010709 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_010709?
The CAS number of CBKinase1_010709 is 717873-92-2.
What is the molecular formula of CBKinase1_010709?
The molecular formula of CBKinase1_010709 is C26H31N5O4S.
What is the molecular weight of CBKinase1_010709?
The molecular weight of CBKinase1_010709 is 509.21 g/mol.
Where can I buy CBKinase1_010709?
You can request a quote for CBKinase1_010709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010709?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.