(6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 380573-08-0) is a chemical compound with molecular formula C27H24N4O3S and molecular weight 484.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-[3-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-5-imino-2-isopropyl-6-(3-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C27H24N4O3S |
|---|---|
| Molecular Weight | 484.16 g/mol |
| LogP | 5.70257 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.15692 |
| Heavy Atoms | 35 |
| Complexity | 1436.117 |
Chemical Identifiers
| CAS Number | 380573-08-0 |
|---|---|
| SMILES | CC(C)C1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC5=CC=CC=C54)OC)/C(=O)N=C2S1 |
Product Overview
(6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 380573-08-0), with molecular formula C27H24N4O3S and molecular weight 484.16 g/mol. IUPAC: (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.70257 indicates that (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-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 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 380573-08-0.
What is the molecular formula of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C27H24N4O3S.
What is the molecular weight of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 484.16 g/mol.
Where can I buy (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-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)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-propan-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.