CBKinase1_002782
TL;DR: CBKinase1_002782 (CAS 496777-47-0) is a chemical compound with molecular formula C22H26N2O7S2 and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_002782, CBKinase1_015182, F1227-0054, AP-906/41928074, BRD-K09939652-001-01-4
| Molecular Formula | C22H26N2O7S2 |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 2.6953 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.11813 |
| Heavy Atoms | 33 |
| Complexity | 1167.6473 |
Chemical Identifiers
| CAS Number | 496777-47-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC |
Product Overview
CBKinase1_002782 (CAS 496777-47-0), with molecular formula C22H26N2O7S2 and molecular weight 494.12 g/mol. IUPAC: ethyl 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_002782
Property Insights of CBKinase1_002782
The XLogP value of 2.6953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002782. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002782. Following Lipinski's Rule of Five, CBKinase1_002782 has 1 hydrogen bond donor(s) and 8 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_002782?
The CAS number of CBKinase1_002782 is 496777-47-0.
What is the molecular formula of CBKinase1_002782?
The molecular formula of CBKinase1_002782 is C22H26N2O7S2.
What is the molecular weight of CBKinase1_002782?
The molecular weight of CBKinase1_002782 is 494.12 g/mol.
Where can I buy CBKinase1_002782?
You can request a quote for CBKinase1_002782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002782?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.