CBKinase1_009550
TL;DR: CBKinase1_009550 (CAS 714262-68-7) 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.
methyl 4-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: CBKinase1_009550, CBKinase1_021950, VU0507936-1, F3048-0084, methyl 4-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.09384 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1003.0875 |
Chemical Identifiers
| CAS Number | 714262-68-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)C |
Product Overview
CBKinase1_009550 (CAS 714262-68-7), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: methyl 4-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of CBKinase1_009550
Property Insights of CBKinase1_009550
The XLogP value of 3.09384 indicates that CBKinase1_009550 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_009550. Following Lipinski's Rule of Five, CBKinase1_009550 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_009550?
The CAS number of CBKinase1_009550 is 714262-68-7.
What is the molecular formula of CBKinase1_009550?
The molecular formula of CBKinase1_009550 is C22H22N2O5S.
What is the molecular weight of CBKinase1_009550?
The molecular weight of CBKinase1_009550 is 426.12 g/mol.
Where can I buy CBKinase1_009550?
You can request a quote for CBKinase1_009550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009550?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.