CBKinase1_010956
TL;DR: CBKinase1_010956 (CAS 728012-99-5) is a chemical compound with molecular formula C18H15N5OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: CBKinase1_010956, CBKinase1_023356, BRD-K16787117-001-01-7, 2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one, A3841/0163086
| Molecular Formula | C18H15N5OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 2.99651 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.09973 |
| Heavy Atoms | 25 |
| Complexity | 1170.5137 |
Chemical Identifiers
| CAS Number | 728012-99-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3 |
Product Overview
CBKinase1_010956 (CAS 728012-99-5), with molecular formula C18H15N5OS and molecular weight 349.10 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of CBKinase1_010956
Property Insights of CBKinase1_010956
The XLogP value of 2.99651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010956. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010956. Following Lipinski's Rule of Five, CBKinase1_010956 has 1 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 CBKinase1_010956?
The CAS number of CBKinase1_010956 is 728012-99-5.
What is the molecular formula of CBKinase1_010956?
The molecular formula of CBKinase1_010956 is C18H15N5OS.
What is the molecular weight of CBKinase1_010956?
The molecular weight of CBKinase1_010956 is 349.10 g/mol.
Where can I buy CBKinase1_010956?
You can request a quote for CBKinase1_010956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010956?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.