![(6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/575/575466-95-4.png)
(6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 575466-95-4) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(3,4-dimethoxyphenyl)methyl]-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5-amino-2-[(3,4-dimethoxyphenyl)methyl]-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 3.5977 |
| Topological Polar Surface Area | 104.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1468.5111 |
Chemical Identifiers
| CAS Number | 575466-95-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C(=C(C(=O)N=C3S2)/C=C/4\C=NC5=CC=CC=C54)N)OC |
Product Overview
(6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 575466-95-4), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: 5-amino-2-[(3,4-dimethoxyphenyl)methyl]-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 3.5977 indicates that (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[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 104.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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 (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 575466-95-4.
What is the molecular formula of (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C23H19N5O3S.
What is the molecular weight of (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 445.12 g/mol.
Where can I buy (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[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)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.