CBKinase1_006438
TL;DR: CBKinase1_006438 (CAS 557069-47-3) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_006438, CBKinase1_018838, BAS 04037745, BRD-K01855748-001-01-6, N-(2,3-dimethylphenyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 3.42274 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 855.61017 |
Chemical Identifiers
| CAS Number | 557069-47-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3)C |
Product Overview
CBKinase1_006438 (CAS 557069-47-3), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_006438
Property Insights of CBKinase1_006438
The XLogP value of 3.42274 indicates that CBKinase1_006438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006438. Following Lipinski's Rule of Five, CBKinase1_006438 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_006438?
The CAS number of CBKinase1_006438 is 557069-47-3.
What is the molecular formula of CBKinase1_006438?
The molecular formula of CBKinase1_006438 is C17H18N4O2S.
What is the molecular weight of CBKinase1_006438?
The molecular weight of CBKinase1_006438 is 342.12 g/mol.
Where can I buy CBKinase1_006438?
You can request a quote for CBKinase1_006438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006438?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.