CBKinase1_004204
TL;DR: CBKinase1_004204 (CAS 663168-56-7) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_004204, CBKinase1_016604, BAS 06507700, AM-879/42000717, BRD-K47685035-001-01-5
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 2.2724 |
| Topological Polar Surface Area | 107.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 1075.9763 |
Chemical Identifiers
| CAS Number | 663168-56-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O)C(=O)N |
Product Overview
CBKinase1_004204 (CAS 663168-56-7), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_004204
Property Insights of CBKinase1_004204
The XLogP value of 2.2724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004204. The TPSA of 107.33 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004204. Following Lipinski's Rule of Five, CBKinase1_004204 has 2 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_004204?
The CAS number of CBKinase1_004204 is 663168-56-7.
What is the molecular formula of CBKinase1_004204?
The molecular formula of CBKinase1_004204 is C18H17N3O4S.
What is the molecular weight of CBKinase1_004204?
The molecular weight of CBKinase1_004204 is 371.09 g/mol.
Where can I buy CBKinase1_004204?
You can request a quote for CBKinase1_004204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004204?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.