CBKinase1_004523
TL;DR: CBKinase1_004523 (CAS 694496-58-7) is a chemical compound with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-3-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate
Also Known As: CBKinase1_004523, CBKinase1_016923, BAS 06739920, BRD-K66808618-001-01-4, methyl 3-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-4-methylbenzoate
| Molecular Formula | C18H16N2O6S |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 1.56482 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.0729 |
| Heavy Atoms | 27 |
| Complexity | 1061.2716 |
Chemical Identifiers
| CAS Number | 694496-58-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
CBKinase1_004523 (CAS 694496-58-7), with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol. IUPAC: methyl 4-methyl-3-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_004523
Property Insights of CBKinase1_004523
The XLogP value of 1.56482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004523. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004523. Following Lipinski's Rule of Five, CBKinase1_004523 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_004523?
The CAS number of CBKinase1_004523 is 694496-58-7.
What is the molecular formula of CBKinase1_004523?
The molecular formula of CBKinase1_004523 is C18H16N2O6S.
What is the molecular weight of CBKinase1_004523?
The molecular weight of CBKinase1_004523 is 388.07 g/mol.
Where can I buy CBKinase1_004523?
You can request a quote for CBKinase1_004523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004523?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.