CBKinase1_003027
TL;DR: CBKinase1_003027 (CAS 694445-65-3) is a chemical compound with molecular formula C17H17IN2O5S and molecular weight 487.99 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-iodophenyl)acetamide
Also Known As: CBKinase1_003027, CBKinase1_015427, BRD-K69193355-001-01-5, 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide, N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-iodophenyl)-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C17H17IN2O5S |
|---|---|
| Molecular Weight | 487.99 g/mol |
| LogP | 2.4671 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.9903 |
| Heavy Atoms | 26 |
| Complexity | 915.25055 |
Chemical Identifiers
| CAS Number | 694445-65-3 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)I)C2=CC3=C(C=C2)OCCO3 |
Product Overview
CBKinase1_003027 (CAS 694445-65-3), with molecular formula C17H17IN2O5S and molecular weight 487.99 g/mol. IUPAC: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide.
Chemical Property Profile of CBKinase1_003027
Property Insights of CBKinase1_003027
The XLogP value of 2.4671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003027. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003027. Following Lipinski's Rule of Five, CBKinase1_003027 has 1 hydrogen bond donor(s) and 5 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_003027?
The CAS number of CBKinase1_003027 is 694445-65-3.
What is the molecular formula of CBKinase1_003027?
The molecular formula of CBKinase1_003027 is C17H17IN2O5S.
What is the molecular weight of CBKinase1_003027?
The molecular weight of CBKinase1_003027 is 487.99 g/mol.
Where can I buy CBKinase1_003027?
You can request a quote for CBKinase1_003027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003027?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.