CBKinase1_009251
TL;DR: CBKinase1_009251 (CAS 812643-41-7) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
Also Known As: CBKinase1_009251, CBKinase1_021651, BRD-K74496449-001-01-3, ethyl 2-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-4-phenylthiophene-3-carboxylate, ethyl 2-(2-(2-oxobenzo[d]oxazol-3(2H)-yl)acetamido)-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.1384 |
| Topological Polar Surface Area | 90.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1269.6726 |
Chemical Identifiers
| CAS Number | 812643-41-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4OC3=O |
Product Overview
CBKinase1_009251 (CAS 812643-41-7), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_009251
Property Insights of CBKinase1_009251
The XLogP value of 4.1384 indicates that CBKinase1_009251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.54 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009251. Following Lipinski's Rule of Five, CBKinase1_009251 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_009251?
The CAS number of CBKinase1_009251 is 812643-41-7.
What is the molecular formula of CBKinase1_009251?
The molecular formula of CBKinase1_009251 is C22H18N2O5S.
What is the molecular weight of CBKinase1_009251?
The molecular weight of CBKinase1_009251 is 422.09 g/mol.
Where can I buy CBKinase1_009251?
You can request a quote for CBKinase1_009251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009251?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.