CBKinase1_010148
TL;DR: CBKinase1_010148 (CAS 391866-88-9) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_010148, CBKinase1_022548, BRD-A63799324-001-01-5, F0463-0045, ethyl 2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.2843 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1022.7925 |
Chemical Identifiers
| CAS Number | 391866-88-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
CBKinase1_010148 (CAS 391866-88-9), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_010148
Property Insights of CBKinase1_010148
The XLogP value of 3.2843 indicates that CBKinase1_010148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010148. Following Lipinski's Rule of Five, CBKinase1_010148 has 1 hydrogen bond donor(s) and 6 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_010148?
The CAS number of CBKinase1_010148 is 391866-88-9.
What is the molecular formula of CBKinase1_010148?
The molecular formula of CBKinase1_010148 is C22H22N2O5S.
What is the molecular weight of CBKinase1_010148?
The molecular weight of CBKinase1_010148 is 426.12 g/mol.
Where can I buy CBKinase1_010148?
You can request a quote for CBKinase1_010148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010148?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.