![2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/848/848688-63-1.png)
2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 848688-63-1) is a chemical compound with molecular formula C22H21Cl2N5OS and molecular weight 473.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H21Cl2N5OS |
|---|---|
| Molecular Weight | 473.08 g/mol |
| LogP | 6.21031 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.08438 |
| Heavy Atoms | 31 |
| Complexity | 1174.4984 |
Chemical Identifiers
| CAS Number | 848688-63-1 |
|---|---|
| SMILES | CCCCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC(=CC(=C4)Cl)Cl)C)C(=O)N=C2S1 |
Product Overview
2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 848688-63-1), with molecular formula C22H21Cl2N5OS and molecular weight 473.08 g/mol. IUPAC: 2-butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 6.21031 indicates that 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-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 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 848688-63-1.
What is the molecular formula of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is C22H21Cl2N5OS.
What is the molecular weight of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 473.08 g/mol.
Where can I buy 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-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 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-6-[[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-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.