CBKinase1_004466
TL;DR: CBKinase1_004466 (CAS 633287-31-7) is a chemical compound with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: CBKinase1_004466, CBKinase1_016866, BAS 06575882, AB00334756-03, BRD-A18496964-001-01-9
| Molecular Formula | C20H18N2O6S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 2.7014 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.08856 |
| Heavy Atoms | 29 |
| Complexity | 956.43677 |
Chemical Identifiers
| CAS Number | 633287-31-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C(=O)OC |
Product Overview
CBKinase1_004466 (CAS 633287-31-7), with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol. IUPAC: dimethyl 5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of CBKinase1_004466
Property Insights of CBKinase1_004466
The XLogP value of 2.7014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004466. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004466. Following Lipinski's Rule of Five, CBKinase1_004466 has 2 hydrogen bond donor(s) and 7 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_004466?
The CAS number of CBKinase1_004466 is 633287-31-7.
What is the molecular formula of CBKinase1_004466?
The molecular formula of CBKinase1_004466 is C20H18N2O6S.
What is the molecular weight of CBKinase1_004466?
The molecular weight of CBKinase1_004466 is 414.09 g/mol.
Where can I buy CBKinase1_004466?
You can request a quote for CBKinase1_004466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004466?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.