CBKinase1_007842
TL;DR: CBKinase1_007842 (CAS 447433-65-0) is a chemical compound with molecular formula C17H15N5OS and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: CBKinase1_007842, CBKinase1_020242, TimTec1_005654, A2596/0110434, 2-({[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzimidazole
| Molecular Formula | C17H15N5OS |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 3.8927 |
| Topological Polar Surface Area | 72.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.09973 |
| Heavy Atoms | 24 |
| Complexity | 937.1293 |
Chemical Identifiers
| CAS Number | 447433-65-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CO4 |
Product Overview
CBKinase1_007842 (CAS 447433-65-0), with molecular formula C17H15N5OS and molecular weight 337.10 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of CBKinase1_007842
Property Insights of CBKinase1_007842
The XLogP value of 3.8927 indicates that CBKinase1_007842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007842. Following Lipinski's Rule of Five, CBKinase1_007842 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_007842?
The CAS number of CBKinase1_007842 is 447433-65-0.
What is the molecular formula of CBKinase1_007842?
The molecular formula of CBKinase1_007842 is C17H15N5OS.
What is the molecular weight of CBKinase1_007842?
The molecular weight of CBKinase1_007842 is 337.10 g/mol.
Where can I buy CBKinase1_007842?
You can request a quote for CBKinase1_007842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007842?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.