CBKinase1_005897
TL;DR: CBKinase1_005897 (CAS 637320-59-3) is a chemical compound with molecular formula C26H26N2O5S and molecular weight 478.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_005897, CBKinase1_018297, VU0489310-1, BRD-K59982321-001-01-4, F1494-0015
| Molecular Formula | C26H26N2O5S |
|---|---|
| Molecular Weight | 478.16 g/mol |
| LogP | 4.2093 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.15625 |
| Heavy Atoms | 34 |
| Complexity | 1340.8164 |
Chemical Identifiers
| CAS Number | 637320-59-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCCC5 |
Product Overview
CBKinase1_005897 (CAS 637320-59-3), with molecular formula C26H26N2O5S and molecular weight 478.16 g/mol. IUPAC: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_005897
Property Insights of CBKinase1_005897
The XLogP value of 4.2093 indicates that CBKinase1_005897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005897. Following Lipinski's Rule of Five, CBKinase1_005897 has 0 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_005897?
The CAS number of CBKinase1_005897 is 637320-59-3.
What is the molecular formula of CBKinase1_005897?
The molecular formula of CBKinase1_005897 is C26H26N2O5S.
What is the molecular weight of CBKinase1_005897?
The molecular weight of CBKinase1_005897 is 478.16 g/mol.
Where can I buy CBKinase1_005897?
You can request a quote for CBKinase1_005897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005897?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.