CBKinase1_005274
TL;DR: CBKinase1_005274 (CAS 700855-56-7) is a chemical compound with molecular formula C17H15FN4O4S and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate
Also Known As: CBKinase1_005274, CBKinase1_017674, BRD-A20569306-001-01-6, ethyl 4-amino-2-{[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate, ethyl 4-amino-2-((1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)pyrimidine-5-carboxylate
| Molecular Formula | C17H15FN4O4S |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | 1.7988 |
| Topological Polar Surface Area | 115.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0798 |
| Heavy Atoms | 27 |
| Complexity | 923.55646 |
Chemical Identifiers
| CAS Number | 700855-56-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC(=CC=C3)F |
Product Overview
CBKinase1_005274 (CAS 700855-56-7), with molecular formula C17H15FN4O4S and molecular weight 390.08 g/mol. IUPAC: ethyl 4-amino-2-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of CBKinase1_005274
Property Insights of CBKinase1_005274
The XLogP value of 1.7988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005274. The TPSA of 115.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005274. Following Lipinski's Rule of Five, CBKinase1_005274 has 1 hydrogen bond donor(s) and 8 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_005274?
The CAS number of CBKinase1_005274 is 700855-56-7.
What is the molecular formula of CBKinase1_005274?
The molecular formula of CBKinase1_005274 is C17H15FN4O4S.
What is the molecular weight of CBKinase1_005274?
The molecular weight of CBKinase1_005274 is 390.08 g/mol.
Where can I buy CBKinase1_005274?
You can request a quote for CBKinase1_005274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005274?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.