CBKinase1_003785
TL;DR: CBKinase1_003785 (CAS 693828-72-7) is a chemical compound with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: CBKinase1_003785, CBKinase1_016185, BRD-K57396375-001-01-4, 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide, 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C18H17ClN4OS |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 4.17472 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.08115 |
| Heavy Atoms | 25 |
| Complexity | 909.5967 |
Chemical Identifiers
| CAS Number | 693828-72-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Cl |
Product Overview
CBKinase1_003785 (CAS 693828-72-7), with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_003785
Property Insights of CBKinase1_003785
The XLogP value of 4.17472 indicates that CBKinase1_003785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_003785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003785 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_003785?
The CAS number of CBKinase1_003785 is 693828-72-7.
What is the molecular formula of CBKinase1_003785?
The molecular formula of CBKinase1_003785 is C18H17ClN4OS.
What is the molecular weight of CBKinase1_003785?
The molecular weight of CBKinase1_003785 is 372.08 g/mol.
Where can I buy CBKinase1_003785?
You can request a quote for CBKinase1_003785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003785?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.