CBKinase1_002256
TL;DR: CBKinase1_002256 (CAS 693236-15-6) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(4-methoxyphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: CBKinase1_002256, CBKinase1_014656, BRD-K97607908-001-01-2, ethyl 2-[[5-(4-methoxyphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl {[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.90652 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 922.4763 |
Chemical Identifiers
| CAS Number | 693236-15-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2C)C3=CC=C(C=C3)OC |
Product Overview
CBKinase1_002256 (CAS 693236-15-6), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: ethyl 2-[[5-(4-methoxyphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of CBKinase1_002256
Property Insights of CBKinase1_002256
The XLogP value of 3.90652 indicates that CBKinase1_002256 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002256. Following Lipinski's Rule of Five, CBKinase1_002256 has 0 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_002256?
The CAS number of CBKinase1_002256 is 693236-15-6.
What is the molecular formula of CBKinase1_002256?
The molecular formula of CBKinase1_002256 is C20H21N3O3S.
What is the molecular weight of CBKinase1_002256?
The molecular weight of CBKinase1_002256 is 383.13 g/mol.
Where can I buy CBKinase1_002256?
You can request a quote for CBKinase1_002256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002256?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.