CBKinase1_004375
TL;DR: CBKinase1_004375 (CAS 694468-88-7) is a chemical compound with molecular formula C19H18BrClN4OS and molecular weight 464.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004375, CBKinase1_016775, BRD-K65505497-001-01-3, N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2,3-dimethylphenyl)-2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H18BrClN4OS |
|---|---|
| Molecular Weight | 464.01 g/mol |
| LogP | 5.24564 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.00732 |
| Heavy Atoms | 27 |
| Complexity | 988.1199 |
Chemical Identifiers
| CAS Number | 694468-88-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_004375 (CAS 694468-88-7), with molecular formula C19H18BrClN4OS and molecular weight 464.01 g/mol. IUPAC: N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004375
Property Insights of CBKinase1_004375
The XLogP value of 5.24564 indicates that CBKinase1_004375 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_004375 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004375 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_004375?
The CAS number of CBKinase1_004375 is 694468-88-7.
What is the molecular formula of CBKinase1_004375?
The molecular formula of CBKinase1_004375 is C19H18BrClN4OS.
What is the molecular weight of CBKinase1_004375?
The molecular weight of CBKinase1_004375 is 464.01 g/mol.
Where can I buy CBKinase1_004375?
You can request a quote for CBKinase1_004375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004375?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.