CTK2I0439
TL;DR: CTK2I0439 (CAS 76134-84-4) is a chemical compound with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;4-methyl-2,4-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Also Known As: But-2-enedioic acid--2-methyl-1,2,3,4,4a,9-hexahydrodibenzo[c,f]pyrimido[1,6-a]azepine (1/1), (+)-1,2,3,4,4a,9-Hexahydro-2-methyldibenzo(c,f)pyrimido(1,6-a)azepine fumarate
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 3.1433 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 877.6104 |
Chemical Identifiers
| CAS Number | 76134-84-4 |
|---|---|
| SMILES | CN1CCC2C3=CC=CC=C3CC4=CC=CC=C4N2C1.C(=CC(=O)O)C(=O)O |
Product Overview
CTK2I0439 (CAS 76134-84-4), with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol. IUPAC: but-2-enedioic acid;4-methyl-2,4-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.
Chemical Property Profile of CTK2I0439
Property Insights of CTK2I0439
The XLogP value of 3.1433 indicates that CTK2I0439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK2I0439. Following Lipinski's Rule of Five, CTK2I0439 has 2 hydrogen bond donor(s) and 4 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 CTK2I0439?
The CAS number of CTK2I0439 is 76134-84-4.
What is the molecular formula of CTK2I0439?
The molecular formula of CTK2I0439 is C22H24N2O4.
What is the molecular weight of CTK2I0439?
The molecular weight of CTK2I0439 is 380.17 g/mol.
Where can I buy CTK2I0439?
You can request a quote for CTK2I0439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2I0439?
Yes, KEHONG BIO provides custom synthesis services for CTK2I0439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.