CBKinase1_008533
TL;DR: CBKinase1_008533 (CAS 354552-98-0) is a chemical compound with molecular formula C12H9ClN4OS3 and molecular weight 355.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: CBKinase1_008533, CBKinase1_020933, AM-807/12426132, BRD-K68933095-001-01-0, 2-amino-4-((2-(5-chlorothiophen-2-yl)-2-oxoethyl)thio)-6-(methylthio)pyrimidine-5-carbonitrile
| Molecular Formula | C12H9ClN4OS3 |
|---|---|
| Molecular Weight | 355.96 g/mol |
| LogP | 3.34228 |
| Topological Polar Surface Area | 92.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.9627 |
| Heavy Atoms | 21 |
| Complexity | 725.778 |
Chemical Identifiers
| CAS Number | 354552-98-0 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC=C(S2)Cl)C#N |
Product Overview
CBKinase1_008533 (CAS 354552-98-0), with molecular formula C12H9ClN4OS3 and molecular weight 355.96 g/mol. IUPAC: 2-amino-4-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of CBKinase1_008533
Property Insights of CBKinase1_008533
The XLogP value of 3.34228 indicates that CBKinase1_008533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.66 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008533. Following Lipinski's Rule of Five, CBKinase1_008533 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_008533?
The CAS number of CBKinase1_008533 is 354552-98-0.
What is the molecular formula of CBKinase1_008533?
The molecular formula of CBKinase1_008533 is C12H9ClN4OS3.
What is the molecular weight of CBKinase1_008533?
The molecular weight of CBKinase1_008533 is 355.96 g/mol.
Where can I buy CBKinase1_008533?
You can request a quote for CBKinase1_008533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008533?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.