CBKinase1_004790
TL;DR: CBKinase1_004790 (CAS 694499-53-1) is a chemical compound with molecular formula C16H18N2O6S2 and molecular weight 398.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Also Known As: CBKinase1_004790, CBKinase1_017190, BAS 06739364, AO-081/42097480, BRD-K31270887-001-01-3
| Molecular Formula | C16H18N2O6S2 |
|---|---|
| Molecular Weight | 398.06 g/mol |
| LogP | 1.6544 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06064 |
| Heavy Atoms | 26 |
| Complexity | 1034.4556 |
Chemical Identifiers
| CAS Number | 694499-53-1 |
|---|---|
| SMILES | CN(C1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C |
Product Overview
CBKinase1_004790 (CAS 694499-53-1), with molecular formula C16H18N2O6S2 and molecular weight 398.06 g/mol. IUPAC: N-[3-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
Chemical Property Profile of CBKinase1_004790
Property Insights of CBKinase1_004790
The XLogP value of 1.6544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004790. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004790. Following Lipinski's Rule of Five, CBKinase1_004790 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_004790?
The CAS number of CBKinase1_004790 is 694499-53-1.
What is the molecular formula of CBKinase1_004790?
The molecular formula of CBKinase1_004790 is C16H18N2O6S2.
What is the molecular weight of CBKinase1_004790?
The molecular weight of CBKinase1_004790 is 398.06 g/mol.
Where can I buy CBKinase1_004790?
You can request a quote for CBKinase1_004790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004790?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.