![(6Z)-2-(2-cyclohexylethyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/877/877792-29-5.png)
(6Z)-2-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 877792-29-5) is a chemical compound with molecular formula C22H23N5OS and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-2-(2-cyclohexylethyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-6-((1H-indol-3-yl)methylene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H23N5OS |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 4.5026 |
| Topological Polar Surface Area | 85.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.16232 |
| Heavy Atoms | 29 |
| Complexity | 1183.6211 |
Chemical Identifiers
| CAS Number | 877792-29-5 |
|---|---|
| SMILES | C1CCC(CC1)CCC2=NN3C(=C(C(=O)N=C3S2)/C=C/4\C=NC5=CC=CC=C54)N |
Product Overview
(6Z)-2-(2-cyclohexylethyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 877792-29-5), with molecular formula C22H23N5OS and molecular weight 405.16 g/mol. IUPAC: 5-amino-2-(2-cyclohexylethyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-2-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-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 4.5026 indicates that (6Z)-2-(2-cyclohexylethyl)-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 85.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-2-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-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 6 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-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 877792-29-5.
What is the molecular formula of (6Z)-2-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C22H23N5OS.
What is the molecular weight of (6Z)-2-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-5-imino-6-(1H-indol-3-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 405.16 g/mol.
Where can I buy (6Z)-2-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-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-(2-cyclohexylethyl)-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.