![(6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/530/530132-32-2.png)
(6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 530132-32-2) is a chemical compound with molecular formula C28H26N4O4S2 and molecular weight 546.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(4-(3-(3,4-dimethylphenoxy)propoxy)-3-methoxybenzylidene)-5-imino-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C28H26N4O4S2 |
|---|---|
| Molecular Weight | 546.14 g/mol |
| LogP | 5.88891 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.1395 |
| Heavy Atoms | 38 |
| Complexity | 1477.9641 |
Chemical Identifiers
| CAS Number | 530132-32-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCCCOC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CS5)OC)C |
Product Overview
(6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 530132-32-2), with molecular formula C28H26N4O4S2 and molecular weight 546.14 g/mol. IUPAC: (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.88891 indicates that (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 530132-32-2.
What is the molecular formula of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C28H26N4O4S2.
What is the molecular weight of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 546.14 g/mol.
Where can I buy (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.