CBKinase1_008544
TL;DR: CBKinase1_008544 (CAS 710981-45-6) is a chemical compound with molecular formula C24H21ClN4O3S and molecular weight 480.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: CBKinase1_008544, CBKinase1_020944, BRD-K68519409-001-01-8, 2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide, 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C24H21ClN4O3S |
|---|---|
| Molecular Weight | 480.10 g/mol |
| LogP | 5.3357 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.1023 |
| Heavy Atoms | 33 |
| Complexity | 1260.8164 |
Chemical Identifiers
| CAS Number | 710981-45-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC(=CC=C4)OC |
Product Overview
CBKinase1_008544 (CAS 710981-45-6), with molecular formula C24H21ClN4O3S and molecular weight 480.10 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_008544
Property Insights of CBKinase1_008544
The XLogP value of 5.3357 indicates that CBKinase1_008544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008544. Following Lipinski's Rule of Five, CBKinase1_008544 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008544?
The CAS number of CBKinase1_008544 is 710981-45-6.
What is the molecular formula of CBKinase1_008544?
The molecular formula of CBKinase1_008544 is C24H21ClN4O3S.
What is the molecular weight of CBKinase1_008544?
The molecular weight of CBKinase1_008544 is 480.10 g/mol.
Where can I buy CBKinase1_008544?
You can request a quote for CBKinase1_008544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008544?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.