CBKinase1_002281
TL;DR: CBKinase1_002281 (CAS 510766-01-5) is a chemical compound with molecular formula C21H23FN2O5S2 and molecular weight 466.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-2-[[2-(4-fluorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_002281, CBKinase1_014681, BAS 05621116, UPCMLD0ENAT0510-2948:001, AF-399/41493307
| Molecular Formula | C21H23FN2O5S2 |
|---|---|
| Molecular Weight | 466.10 g/mol |
| LogP | 2.7004 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.10324 |
| Heavy Atoms | 31 |
| Complexity | 1095.7185 |
Chemical Identifiers
| CAS Number | 510766-01-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)F)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
CBKinase1_002281 (CAS 510766-01-5), with molecular formula C21H23FN2O5S2 and molecular weight 466.10 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-2-[[2-(4-fluorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_002281
Property Insights of CBKinase1_002281
The XLogP value of 2.7004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002281. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002281. Following Lipinski's Rule of Five, CBKinase1_002281 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_002281?
The CAS number of CBKinase1_002281 is 510766-01-5.
What is the molecular formula of CBKinase1_002281?
The molecular formula of CBKinase1_002281 is C21H23FN2O5S2.
What is the molecular weight of CBKinase1_002281?
The molecular weight of CBKinase1_002281 is 466.10 g/mol.
Where can I buy CBKinase1_002281?
You can request a quote for CBKinase1_002281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002281?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.