CBKinase1_012232
TL;DR: CBKinase1_012232 (CAS 833434-93-8) is a chemical compound with molecular formula C18H21ClN4O3S2 and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: CBKinase1_012232, CBKinase1_024632, AS-871/43360122, 5-chloro-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide, BRD-K25304453-001-01-2
| Molecular Formula | C18H21ClN4O3S2 |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 3.4207 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.07437 |
| Heavy Atoms | 28 |
| Complexity | 887.95593 |
Chemical Identifiers
| CAS Number | 833434-93-8 |
|---|---|
| SMILES | COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC |
Product Overview
CBKinase1_012232 (CAS 833434-93-8), with molecular formula C18H21ClN4O3S2 and molecular weight 440.07 g/mol. IUPAC: 5-chloro-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of CBKinase1_012232
Property Insights of CBKinase1_012232
The XLogP value of 3.4207 indicates that CBKinase1_012232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012232. Following Lipinski's Rule of Five, CBKinase1_012232 has 2 hydrogen bond donor(s) and 7 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_012232?
The CAS number of CBKinase1_012232 is 833434-93-8.
What is the molecular formula of CBKinase1_012232?
The molecular formula of CBKinase1_012232 is C18H21ClN4O3S2.
What is the molecular weight of CBKinase1_012232?
The molecular weight of CBKinase1_012232 is 440.07 g/mol.
Where can I buy CBKinase1_012232?
You can request a quote for CBKinase1_012232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012232?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.