(Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 365989-37-3) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate, methyl 2-{3-[(2,5-dioxo-4-imidazolidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.06104 |
| Topological Polar Surface Area | 89.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 924.3975 |
Chemical Identifiers
| CAS Number | 365989-37-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)/C=C\3/C(=O)NC(=O)N3 |
Product Overview
(Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 365989-37-3), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: methyl 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 2.06104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate. The TPSA of 89.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate has 2 hydrogen bond donor(s) and 4 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)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 365989-37-3.
What is the molecular formula of (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C18H17N3O4.
What is the molecular weight of (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 339.12 g/mol.
Where can I buy (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.