CBKinase1_004329
TL;DR: CBKinase1_004329 (CAS 694467-37-3) is a chemical compound with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004329, CBKinase1_016729, BRD-K99205129-001-01-6, N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide, N-[4-bromo-2-(propan-2-yl)phenyl]-2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C20H20BrN3O2S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 5.66172 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.04596 |
| Heavy Atoms | 27 |
| Complexity | 938.6548 |
Chemical Identifiers
| CAS Number | 694467-37-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Br)C(C)C |
Product Overview
CBKinase1_004329 (CAS 694467-37-3), with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol. IUPAC: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004329
Property Insights of CBKinase1_004329
The XLogP value of 5.66172 indicates that CBKinase1_004329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004329. Following Lipinski's Rule of Five, CBKinase1_004329 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004329?
The CAS number of CBKinase1_004329 is 694467-37-3.
What is the molecular formula of CBKinase1_004329?
The molecular formula of CBKinase1_004329 is C20H20BrN3O2S.
What is the molecular weight of CBKinase1_004329?
The molecular weight of CBKinase1_004329 is 445.05 g/mol.
Where can I buy CBKinase1_004329?
You can request a quote for CBKinase1_004329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004329?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.