CBKinase1_005496
TL;DR: CBKinase1_005496 (CAS 701220-37-3) is a chemical compound with molecular formula C19H19BrN4O4S and molecular weight 478.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)sulfonylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Also Known As: CBKinase1_005496, CBKinase1_017896, AQ-390/42698899, BRD-K70083799-001-01-9, 2-[(4-bromophenyl)sulfonylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
| Molecular Formula | C19H19BrN4O4S |
|---|---|
| Molecular Weight | 478.03 g/mol |
| LogP | 2.16392 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.03104 |
| Heavy Atoms | 29 |
| Complexity | 1199.5013 |
Chemical Identifiers
| CAS Number | 701220-37-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_005496 (CAS 701220-37-3), with molecular formula C19H19BrN4O4S and molecular weight 478.03 g/mol. IUPAC: 2-[(4-bromophenyl)sulfonylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
Chemical Property Profile of CBKinase1_005496
Property Insights of CBKinase1_005496
The XLogP value of 2.16392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005496. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005496. Following Lipinski's Rule of Five, CBKinase1_005496 has 2 hydrogen bond donor(s) and 4 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_005496?
The CAS number of CBKinase1_005496 is 701220-37-3.
What is the molecular formula of CBKinase1_005496?
The molecular formula of CBKinase1_005496 is C19H19BrN4O4S.
What is the molecular weight of CBKinase1_005496?
The molecular weight of CBKinase1_005496 is 478.03 g/mol.
Where can I buy CBKinase1_005496?
You can request a quote for CBKinase1_005496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005496?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.