CBKinase1_003997
TL;DR: CBKinase1_003997 (CAS 439091-92-6) is a chemical compound with molecular formula C25H18BrNO3S and molecular weight 491.01907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
Also Known As: CBKinase1_003997, CBKinase1_016397, BRD-A74338115-001-01-2, 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one, 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)-1,3-dihydro-2H-indol-2-one
Technical Specifications
| Molecular Formula | C25H18BrNO3S |
| Molecular Weight | 491.01907 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.01907 Da |
| Heavy Atoms | 31 |
| Complexity | 704.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4C(C3=O)(CC(=O)C5=CC=C(S5)Br)O |
| InChIKey | YLTYTFOXSJEKTL-UHFFFAOYSA-N |
Chemical Property Profile of CBKinase1_003997
Property Insights of CBKinase1_003997
The XLogP value of 5.9 indicates that CBKinase1_003997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003997. Following Lipinski's Rule of Five, CBKinase1_003997 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CBKinase1_003997?
The CAS number of CBKinase1_003997 is 439091-92-6.
What is the molecular formula of CBKinase1_003997?
The molecular formula of CBKinase1_003997 is C25H18BrNO3S.
What is the molecular weight of CBKinase1_003997?
The molecular weight of CBKinase1_003997 is 491.01907 g/mol.
Where can I buy CBKinase1_003997?
You can request a quote for CBKinase1_003997 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CBKinase1_003997?
Yes, CoreyChem provides custom synthesis services for CBKinase1_003997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.