CBKinase1_000744
TL;DR: CBKinase1_000744 (CAS 352553-48-1) is a chemical compound with molecular formula C22H27BrN2O3 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-bromo-5-methoxy-2-methyl-1-phenylindol-4-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Also Known As: CBKinase1_000744, CBKinase1_013144, BIM-0042288.P001, AH-262/34336004, BRD-A44857662-001-01-5
| Molecular Formula | C22H27BrN2O3 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 4.44772 |
| Topological Polar Surface Area | 55.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.1205 |
| Heavy Atoms | 28 |
| Complexity | 938.10004 |
Chemical Identifiers
| CAS Number | 352553-48-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C=C2N1C3=CC=CC=C3)Br)OC)OCC(CNC(C)C)O |
Product Overview
CBKinase1_000744 (CAS 352553-48-1), with molecular formula C22H27BrN2O3 and molecular weight 446.12 g/mol. IUPAC: 1-(6-bromo-5-methoxy-2-methyl-1-phenylindol-4-yl)oxy-3-(propan-2-ylamino)propan-2-ol.
Chemical Property Profile of CBKinase1_000744
Property Insights of CBKinase1_000744
The XLogP value of 4.44772 indicates that CBKinase1_000744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.65 Ų, CBKinase1_000744 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_000744 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_000744?
The CAS number of CBKinase1_000744 is 352553-48-1.
What is the molecular formula of CBKinase1_000744?
The molecular formula of CBKinase1_000744 is C22H27BrN2O3.
What is the molecular weight of CBKinase1_000744?
The molecular weight of CBKinase1_000744 is 446.12 g/mol.
Where can I buy CBKinase1_000744?
You can request a quote for CBKinase1_000744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000744?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.