CBKinase1_004083
TL;DR: CBKinase1_004083 (CAS 694455-12-4) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide
Also Known As: CBKinase1_004083, CBKinase1_016483, BRD-K86996465-001-01-7, 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide, N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(methylsulfonyl)-N-(4-phenoxyphenyl)glycinamide
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.6548 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1196.9161 |
Chemical Identifiers
| CAS Number | 694455-12-4 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4 |
Product Overview
CBKinase1_004083 (CAS 694455-12-4), with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol. IUPAC: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_004083
Property Insights of CBKinase1_004083
The XLogP value of 3.6548 indicates that CBKinase1_004083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004083. Following Lipinski's Rule of Five, CBKinase1_004083 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_004083?
The CAS number of CBKinase1_004083 is 694455-12-4.
What is the molecular formula of CBKinase1_004083?
The molecular formula of CBKinase1_004083 is C23H22N2O6S.
What is the molecular weight of CBKinase1_004083?
The molecular weight of CBKinase1_004083 is 454.12 g/mol.
Where can I buy CBKinase1_004083?
You can request a quote for CBKinase1_004083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004083?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.