CBKinase1_002886
TL;DR: CBKinase1_002886 (CAS 796887-27-9) is a chemical compound with molecular formula C22H31BrN2O3 and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxyphenoxy]acetamide
Also Known As: CBKinase1_002886, CBKinase1_015286, AN-465/41588259, BRD-A99105237-003-01-5, 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxyphenoxy]acetamide
| Molecular Formula | C22H31BrN2O3 |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 4.1604 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.15182 |
| Heavy Atoms | 28 |
| Complexity | 778.2317 |
Chemical Identifiers
| CAS Number | 796887-27-9 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC(=O)N)OC)C |
Product Overview
CBKinase1_002886 (CAS 796887-27-9), with molecular formula C22H31BrN2O3 and molecular weight 450.15 g/mol. IUPAC: 2-[2-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-6-methoxyphenoxy]acetamide.
Chemical Property Profile of CBKinase1_002886
Property Insights of CBKinase1_002886
The XLogP value of 4.1604 indicates that CBKinase1_002886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002886. Following Lipinski's Rule of Five, CBKinase1_002886 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002886?
The CAS number of CBKinase1_002886 is 796887-27-9.
What is the molecular formula of CBKinase1_002886?
The molecular formula of CBKinase1_002886 is C22H31BrN2O3.
What is the molecular weight of CBKinase1_002886?
The molecular weight of CBKinase1_002886 is 450.15 g/mol.
Where can I buy CBKinase1_002886?
You can request a quote for CBKinase1_002886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002886?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.