![(Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/577/577694-49-6.png)
(Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 577694-49-6) is a chemical compound with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 3.29437 |
| Topological Polar Surface Area | 105.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1236.8221 |
Chemical Identifiers
| CAS Number | 577694-49-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C(=N)/C(=C/C4=CC5=C(C=C4)OCO5)/C(=O)N=C3S2)OC |
Product Overview
(Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 577694-49-6), with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol. IUPAC: (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 3.29437 indicates that (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 8 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 (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 577694-49-6.
What is the molecular formula of (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C22H18N4O5S.
What is the molecular weight of (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 450.10 g/mol.
Where can I buy (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.