C18H13ClIN3OS
TL;DR: C18H13ClIN3OS (CAS 728906-36-3) is a chemical compound with molecular formula C18H13ClIN3OS and molecular weight 480.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-[(3-chlorophenyl)methylidene]-3-(4-iodophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (Z)-7-(3-chlorobenzylidene)-3-(4-iodophenyl)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-7-(3-chlorobenzylidene)-3-(4-iodophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-7-[(3-chlorophenyl)methylidene]-3-(4-iodophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, 8-[(3-chlorophenyl)methylidene]-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
| Molecular Formula | C18H13ClIN3OS |
|---|---|
| Molecular Weight | 480.95 g/mol |
| LogP | 3.0514 |
| Topological Polar Surface Area | 37.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 480.95126 |
| Heavy Atoms | 25 |
| Complexity | 1104.5852 |
Chemical Identifiers
| CAS Number | 728906-36-3 |
|---|---|
| SMILES | C1N=C2N(CN1C3=CC=C(C=C3)I)C(=O)/C(=C/C4=CC(=CC=C4)Cl)/S2 |
Product Overview
C18H13ClIN3OS (CAS 728906-36-3), with molecular formula C18H13ClIN3OS and molecular weight 480.95 g/mol. IUPAC: (7Z)-7-[(3-chlorophenyl)methylidene]-3-(4-iodophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of C18H13ClIN3OS
Property Insights of C18H13ClIN3OS
The XLogP value of 3.0514 indicates that C18H13ClIN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.6 Ų, C18H13ClIN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H13ClIN3OS 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 C18H13ClIN3OS?
The CAS number of C18H13ClIN3OS is 728906-36-3.
What is the molecular formula of C18H13ClIN3OS?
The molecular formula of C18H13ClIN3OS is C18H13ClIN3OS.
What is the molecular weight of C18H13ClIN3OS?
The molecular weight of C18H13ClIN3OS is 480.95 g/mol.
Where can I buy C18H13ClIN3OS?
You can request a quote for C18H13ClIN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H13ClIN3OS?
Yes, KEHONG BIO provides custom synthesis services for C18H13ClIN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.