CBKinase1_009590
TL;DR: CBKinase1_009590 (CAS 714262-51-8) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
Also Known As: CBKinase1_009590, CBKinase1_021990, VU0507934-1, BRD-A05839299-001-01-1, F3048-0060
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.31584 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 908.12164 |
Chemical Identifiers
| CAS Number | 714262-51-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)SCC(=O)NC3=CC(=CC=C3)OC)C |
Product Overview
CBKinase1_009590 (CAS 714262-51-8), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: 2-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_009590
Property Insights of CBKinase1_009590
The XLogP value of 3.31584 indicates that CBKinase1_009590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009590. Following Lipinski's Rule of Five, CBKinase1_009590 has 1 hydrogen bond donor(s) and 5 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_009590?
The CAS number of CBKinase1_009590 is 714262-51-8.
What is the molecular formula of CBKinase1_009590?
The molecular formula of CBKinase1_009590 is C21H22N2O4S.
What is the molecular weight of CBKinase1_009590?
The molecular weight of CBKinase1_009590 is 398.13 g/mol.
Where can I buy CBKinase1_009590?
You can request a quote for CBKinase1_009590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009590?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.