CBKinase1_003755
TL;DR: CBKinase1_003755 (CAS 613225-79-9) is a chemical compound with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: CBKinase1_003755, CBKinase1_016155, BRD-K54391764-001-01-7, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C22H18ClN5O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 4.7221 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.08698 |
| Heavy Atoms | 31 |
| Complexity | 1164.9978 |
Chemical Identifiers
| CAS Number | 613225-79-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
CBKinase1_003755 (CAS 613225-79-9), with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_003755
Property Insights of CBKinase1_003755
The XLogP value of 4.7221 indicates that CBKinase1_003755 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_003755. Following Lipinski's Rule of Five, CBKinase1_003755 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_003755?
The CAS number of CBKinase1_003755 is 613225-79-9.
What is the molecular formula of CBKinase1_003755?
The molecular formula of CBKinase1_003755 is C22H18ClN5O2S.
What is the molecular weight of CBKinase1_003755?
The molecular weight of CBKinase1_003755 is 451.09 g/mol.
Where can I buy CBKinase1_003755?
You can request a quote for CBKinase1_003755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003755?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.