CBKinase1_006593
TL;DR: CBKinase1_006593 (CAS 879471-33-7) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
Also Known As: CBKinase1_006593, CBKinase1_018993, BAS 07778936, BRD-K94165817-001-01-4, A3429/0145509
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 3.59719 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 1094.0114 |
Chemical Identifiers
| CAS Number | 879471-33-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4 |
Product Overview
CBKinase1_006593 (CAS 879471-33-7), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of CBKinase1_006593
Property Insights of CBKinase1_006593
The XLogP value of 3.59719 indicates that CBKinase1_006593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006593. Following Lipinski's Rule of Five, CBKinase1_006593 has 2 hydrogen bond donor(s) and 6 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_006593?
The CAS number of CBKinase1_006593 is 879471-33-7.
What is the molecular formula of CBKinase1_006593?
The molecular formula of CBKinase1_006593 is C17H15N5O3S.
What is the molecular weight of CBKinase1_006593?
The molecular weight of CBKinase1_006593 is 369.09 g/mol.
Where can I buy CBKinase1_006593?
You can request a quote for CBKinase1_006593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006593?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.