C21H18ClN3OS
TL;DR: C21H18ClN3OS (CAS 836632-32-7) is a chemical compound with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-3-(3-chloro-4-methylphenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (7Z)-3-(3-chloro-4-methylphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-3-(3-chloro-4-methylphenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (Z)-3-(3-chloro-4-methylphenyl)-7-((E)-3-phenylallylidene)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C21H18ClN3OS |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 3.42032 |
| Topological Polar Surface Area | 37.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.0859 |
| Heavy Atoms | 27 |
| Complexity | 1178.3712 |
Chemical Identifiers
| CAS Number | 836632-32-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/S3)Cl |
Product Overview
C21H18ClN3OS (CAS 836632-32-7), with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol. IUPAC: (7Z)-3-(3-chloro-4-methylphenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of C21H18ClN3OS
Property Insights of C21H18ClN3OS
The XLogP value of 3.42032 indicates that C21H18ClN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.6 Ų, C21H18ClN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H18ClN3OS has 0 hydrogen bond donor(s) and 4 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 C21H18ClN3OS?
The CAS number of C21H18ClN3OS is 836632-32-7.
What is the molecular formula of C21H18ClN3OS?
The molecular formula of C21H18ClN3OS is C21H18ClN3OS.
What is the molecular weight of C21H18ClN3OS?
The molecular weight of C21H18ClN3OS is 395.09 g/mol.
Where can I buy C21H18ClN3OS?
You can request a quote for C21H18ClN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18ClN3OS?
Yes, KEHONG BIO provides custom synthesis services for C21H18ClN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.