CBKinase1_004608
TL;DR: CBKinase1_004608 (CAS 694486-60-7) is a chemical compound with molecular formula C19H18Cl2N4OS and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: CBKinase1_004608, CBKinase1_017008, BRD-K11652924-001-01-1, 2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide, 2-{[5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C19H18Cl2N4OS |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 5.13654 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.05783 |
| Heavy Atoms | 27 |
| Complexity | 1003.3699 |
Chemical Identifiers
| CAS Number | 694486-60-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=C(C=C3)Cl)Cl)C |
Product Overview
CBKinase1_004608 (CAS 694486-60-7), with molecular formula C19H18Cl2N4OS and molecular weight 420.06 g/mol. IUPAC: 2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004608
Property Insights of CBKinase1_004608
The XLogP value of 5.13654 indicates that CBKinase1_004608 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_004608 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004608 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_004608?
The CAS number of CBKinase1_004608 is 694486-60-7.
What is the molecular formula of CBKinase1_004608?
The molecular formula of CBKinase1_004608 is C19H18Cl2N4OS.
What is the molecular weight of CBKinase1_004608?
The molecular weight of CBKinase1_004608 is 420.06 g/mol.
Where can I buy CBKinase1_004608?
You can request a quote for CBKinase1_004608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004608?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.