CBKinase1_008956
TL;DR: CBKinase1_008956 (CAS 768017-29-4) is a chemical compound with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008956, CBKinase1_021356, BRD-K63380977-001-01-2, N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C18H18ClN5O2S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.57832 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.08698 |
| Heavy Atoms | 27 |
| Complexity | 961.88586 |
Chemical Identifiers
| CAS Number | 768017-29-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3 |
Product Overview
CBKinase1_008956 (CAS 768017-29-4), with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008956
Property Insights of CBKinase1_008956
The XLogP value of 3.57832 indicates that CBKinase1_008956 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008956. Following Lipinski's Rule of Five, CBKinase1_008956 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_008956?
The CAS number of CBKinase1_008956 is 768017-29-4.
What is the molecular formula of CBKinase1_008956?
The molecular formula of CBKinase1_008956 is C18H18ClN5O2S.
What is the molecular weight of CBKinase1_008956?
The molecular weight of CBKinase1_008956 is 403.09 g/mol.
Where can I buy CBKinase1_008956?
You can request a quote for CBKinase1_008956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008956?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.