CBKinase1_011080
TL;DR: CBKinase1_011080 (CAS 831216-65-0) is a chemical compound with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]thiophene-3-carboxylate
Also Known As: CBKinase1_011080, CBKinase1_023480, SDCCGSBI-0093059.P001, BRD-A13284915-001-01-4, F1751-0048
| Molecular Formula | C18H18N2O4S2 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 3.67482 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0708 |
| Heavy Atoms | 26 |
| Complexity | 862.62604 |
Chemical Identifiers
| CAS Number | 831216-65-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2 |
Product Overview
CBKinase1_011080 (CAS 831216-65-0), with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol. IUPAC: ethyl 5-methyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_011080
Property Insights of CBKinase1_011080
The XLogP value of 3.67482 indicates that CBKinase1_011080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011080. Following Lipinski's Rule of Five, CBKinase1_011080 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_011080?
The CAS number of CBKinase1_011080 is 831216-65-0.
What is the molecular formula of CBKinase1_011080?
The molecular formula of CBKinase1_011080 is C18H18N2O4S2.
What is the molecular weight of CBKinase1_011080?
The molecular weight of CBKinase1_011080 is 390.07 g/mol.
Where can I buy CBKinase1_011080?
You can request a quote for CBKinase1_011080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011080?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.