CBKinase1_007501
TL;DR: CBKinase1_007501 (CAS 708283-17-4) is a chemical compound with molecular formula C22H23NO5S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_007501, CBKinase1_019901, BRD-A79528412-001-01-3, ethyl 2-(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H23NO5S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 3.9139 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1297 |
| Heavy Atoms | 29 |
| Complexity | 995.084 |
Chemical Identifiers
| CAS Number | 708283-17-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C |
Product Overview
CBKinase1_007501 (CAS 708283-17-4), with molecular formula C22H23NO5S and molecular weight 413.13 g/mol. IUPAC: ethyl 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_007501
Property Insights of CBKinase1_007501
The XLogP value of 3.9139 indicates that CBKinase1_007501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007501. Following Lipinski's Rule of Five, CBKinase1_007501 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_007501?
The CAS number of CBKinase1_007501 is 708283-17-4.
What is the molecular formula of CBKinase1_007501?
The molecular formula of CBKinase1_007501 is C22H23NO5S.
What is the molecular weight of CBKinase1_007501?
The molecular weight of CBKinase1_007501 is 413.13 g/mol.
Where can I buy CBKinase1_007501?
You can request a quote for CBKinase1_007501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007501?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.