CBKinase1_012352
TL;DR: CBKinase1_012352 (CAS 728016-57-7) is a chemical compound with molecular formula C18H14ClN5O2S and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: CBKinase1_012352, CBKinase1_024752, BRD-K90277908-001-01-1, A3847/0163384, 2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
| Molecular Formula | C18H14ClN5O2S |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 3.35009 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.05566 |
| Heavy Atoms | 27 |
| Complexity | 1260.5748 |
Chemical Identifiers
| CAS Number | 728016-57-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3 |
Product Overview
CBKinase1_012352 (CAS 728016-57-7), with molecular formula C18H14ClN5O2S and molecular weight 399.06 g/mol. IUPAC: 2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of CBKinase1_012352
Property Insights of CBKinase1_012352
The XLogP value of 3.35009 indicates that CBKinase1_012352 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.73 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012352. Following Lipinski's Rule of Five, CBKinase1_012352 has 1 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_012352?
The CAS number of CBKinase1_012352 is 728016-57-7.
What is the molecular formula of CBKinase1_012352?
The molecular formula of CBKinase1_012352 is C18H14ClN5O2S.
What is the molecular weight of CBKinase1_012352?
The molecular weight of CBKinase1_012352 is 399.06 g/mol.
Where can I buy CBKinase1_012352?
You can request a quote for CBKinase1_012352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012352?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.