CBKinase1_001291
TL;DR: CBKinase1_001291 (CAS 6013-75-8) is a chemical compound with molecular formula C22H17ClN2O4 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
Also Known As: CBKinase1_001291, CBKinase1_013691, Cytisine, N-methyl-, dihydrochloride, BRD-K38427224-001-01-4, N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
| Molecular Formula | C22H17ClN2O4 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 5.17972 |
| Topological Polar Surface Area | 84.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.08768 |
| Heavy Atoms | 29 |
| Complexity | 1169.6194 |
Chemical Identifiers
| CAS Number | 6013-75-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4O3)Cl |
Product Overview
CBKinase1_001291 (CAS 6013-75-8), with molecular formula C22H17ClN2O4 and molecular weight 408.09 g/mol. IUPAC: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-3-methylphenoxy)acetamide.
Chemical Property Profile of CBKinase1_001291
Property Insights of CBKinase1_001291
The XLogP value of 5.17972 indicates that CBKinase1_001291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001291. Following Lipinski's Rule of Five, CBKinase1_001291 has 2 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_001291?
The CAS number of CBKinase1_001291 is 6013-75-8.
What is the molecular formula of CBKinase1_001291?
The molecular formula of CBKinase1_001291 is C22H17ClN2O4.
What is the molecular weight of CBKinase1_001291?
The molecular weight of CBKinase1_001291 is 408.09 g/mol.
Where can I buy CBKinase1_001291?
You can request a quote for CBKinase1_001291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001291?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.