CBKinase1_008783
TL;DR: CBKinase1_008783 (CAS 956791-01-8) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_008783, CBKinase1_021183, AB00361878-02, BRD-A61717182-001-01-0, F1751-0025
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.2676 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 925.03204 |
Chemical Identifiers
| CAS Number | 956791-01-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4 |
Product Overview
CBKinase1_008783 (CAS 956791-01-8), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: methyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_008783
Property Insights of CBKinase1_008783
The XLogP value of 2.2676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008783. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008783. Following Lipinski's Rule of Five, CBKinase1_008783 has 2 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_008783?
The CAS number of CBKinase1_008783 is 956791-01-8.
What is the molecular formula of CBKinase1_008783?
The molecular formula of CBKinase1_008783 is C20H21N3O4S.
What is the molecular weight of CBKinase1_008783?
The molecular weight of CBKinase1_008783 is 399.13 g/mol.
Where can I buy CBKinase1_008783?
You can request a quote for CBKinase1_008783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008783?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.