CBKinase1_010870
TL;DR: CBKinase1_010870 (CAS 689755-91-7) is a chemical compound with molecular formula C27H20BrNO6 and molecular weight 533.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-bromo-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]indol-2-one
Also Known As: CBKinase1_010870, CBKinase1_023270, BRD-A99916981-001-01-7, 1-benzyl-5-bromo-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]indol-2-one, 1-benzyl-5-bromo-3-hydroxy-3-[2-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C27H20BrNO6 |
|---|---|
| Molecular Weight | 533.05 g/mol |
| LogP | 4.5715 |
| Topological Polar Surface Area | 97.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.0474 |
| Heavy Atoms | 35 |
| Complexity | 1530.2351 |
Chemical Identifiers
| CAS Number | 689755-91-7 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)CC3(C4=C(C=CC(=C4)Br)N(C3=O)CC5=CC=CC=C5)O |
Product Overview
CBKinase1_010870 (CAS 689755-91-7), with molecular formula C27H20BrNO6 and molecular weight 533.05 g/mol. IUPAC: 1-benzyl-5-bromo-3-hydroxy-3-[2-(8-methoxy-2-oxochromen-3-yl)-2-oxoethyl]indol-2-one.
Chemical Property Profile of CBKinase1_010870
Property Insights of CBKinase1_010870
The XLogP value of 4.5715 indicates that CBKinase1_010870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010870. Following Lipinski's Rule of Five, CBKinase1_010870 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_010870?
The CAS number of CBKinase1_010870 is 689755-91-7.
What is the molecular formula of CBKinase1_010870?
The molecular formula of CBKinase1_010870 is C27H20BrNO6.
What is the molecular weight of CBKinase1_010870?
The molecular weight of CBKinase1_010870 is 533.05 g/mol.
Where can I buy CBKinase1_010870?
You can request a quote for CBKinase1_010870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010870?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.