CBKinase1_012268
TL;DR: CBKinase1_012268 (CAS 833434-02-9) is a chemical compound with molecular formula C16H18ClN3O3S and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: CBKinase1_012268, CBKinase1_024668, VU0610680-1, 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide, F3321-0126
| Molecular Formula | C16H18ClN3O3S |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 2.8416 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.07574 |
| Heavy Atoms | 24 |
| Complexity | 727.709 |
Chemical Identifiers
| CAS Number | 833434-02-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SC)OC |
Product Overview
CBKinase1_012268 (CAS 833434-02-9), with molecular formula C16H18ClN3O3S and molecular weight 367.08 g/mol. IUPAC: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of CBKinase1_012268
Property Insights of CBKinase1_012268
The XLogP value of 2.8416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_012268. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012268. Following Lipinski's Rule of Five, CBKinase1_012268 has 1 hydrogen bond donor(s) and 6 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_012268?
The CAS number of CBKinase1_012268 is 833434-02-9.
What is the molecular formula of CBKinase1_012268?
The molecular formula of CBKinase1_012268 is C16H18ClN3O3S.
What is the molecular weight of CBKinase1_012268?
The molecular weight of CBKinase1_012268 is 367.08 g/mol.
Where can I buy CBKinase1_012268?
You can request a quote for CBKinase1_012268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012268?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.