CBKinase1_003504
TL;DR: CBKinase1_003504 (CAS 485328-82-3) is a chemical compound with molecular formula C21H21ClN4O3S and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: CBKinase1_003504, CBKinase1_015904, BAS 02324185, BRD-K29000239-001-01-3, 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
| Molecular Formula | C21H21ClN4O3S |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 3.5472 |
| Topological Polar Surface Area | 69.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.1023 |
| Heavy Atoms | 30 |
| Complexity | 1002.0959 |
Chemical Identifiers
| CAS Number | 485328-82-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_003504 (CAS 485328-82-3), with molecular formula C21H21ClN4O3S and molecular weight 444.10 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of CBKinase1_003504
Property Insights of CBKinase1_003504
The XLogP value of 3.5472 indicates that CBKinase1_003504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003504. Following Lipinski's Rule of Five, CBKinase1_003504 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_003504?
The CAS number of CBKinase1_003504 is 485328-82-3.
What is the molecular formula of CBKinase1_003504?
The molecular formula of CBKinase1_003504 is C21H21ClN4O3S.
What is the molecular weight of CBKinase1_003504?
The molecular weight of CBKinase1_003504 is 444.10 g/mol.
Where can I buy CBKinase1_003504?
You can request a quote for CBKinase1_003504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003504?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.