CBKinase1_004415
TL;DR: CBKinase1_004415 (CAS 694469-40-4) is a chemical compound with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
Also Known As: CBKinase1_004415, CBKinase1_016815, BRD-K33986319-001-01-0, 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
| Molecular Formula | C20H21BrN4OS |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 5.0988 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.06195 |
| Heavy Atoms | 27 |
| Complexity | 920.1597 |
Chemical Identifiers
| CAS Number | 694469-40-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_004415 (CAS 694469-40-4), with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004415
Property Insights of CBKinase1_004415
The XLogP value of 5.0988 indicates that CBKinase1_004415 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_004415 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004415 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_004415?
The CAS number of CBKinase1_004415 is 694469-40-4.
What is the molecular formula of CBKinase1_004415?
The molecular formula of CBKinase1_004415 is C20H21BrN4OS.
What is the molecular weight of CBKinase1_004415?
The molecular weight of CBKinase1_004415 is 444.06 g/mol.
Where can I buy CBKinase1_004415?
You can request a quote for CBKinase1_004415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004415?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.