CBKinase1_003608
TL;DR: CBKinase1_003608 (CAS 669697-16-9) is a chemical compound with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: CBKinase1_003608, CBKinase1_016008, BRD-K87184548-001-01-0, 2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide, 2-{[5-(4-chlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
| Molecular Formula | C24H21ClN4OS |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 5.93534 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.11246 |
| Heavy Atoms | 31 |
| Complexity | 1220.4938 |
Chemical Identifiers
| CAS Number | 669697-16-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_003608 (CAS 669697-16-9), with molecular formula C24H21ClN4OS and molecular weight 448.11 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_003608
Property Insights of CBKinase1_003608
The XLogP value of 5.93534 indicates that CBKinase1_003608 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_003608 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003608 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003608?
The CAS number of CBKinase1_003608 is 669697-16-9.
What is the molecular formula of CBKinase1_003608?
The molecular formula of CBKinase1_003608 is C24H21ClN4OS.
What is the molecular weight of CBKinase1_003608?
The molecular weight of CBKinase1_003608 is 448.11 g/mol.
Where can I buy CBKinase1_003608?
You can request a quote for CBKinase1_003608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003608?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.