Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate
TL;DR: Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate (CAS 6511-29-1) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]phenyl]acetamide
Also Known As: Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate, 2H-1-Benzopyran-7-ol,2-(4,8-dimethyl-3,7-nonadien-1-yl)-3,4-dihydro-2,5-dimethyl-, N-(4-{3-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl)acetamide, N-[4-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]phenyl]acetamide, N-(4-{3-[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl)acetamide
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 2.48634 |
| Topological Polar Surface Area | 91.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 1037.0955 |
Chemical Identifiers
| CAS Number | 6511-29-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)NC(=O)C)C)C=C3C(=O)N(C(=O)N(C3=O)C)C |
Product Overview
Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate (CAS 6511-29-1), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: N-[4-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]phenyl]acetamide.
Chemical Property Profile of Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate
Property Insights of Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate
The XLogP value of 2.48634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate. The TPSA of 91.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate has 1 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 Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate?
The CAS number of Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate is 6511-29-1.
What is the molecular formula of Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate?
The molecular formula of Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate is C21H22N4O4.
What is the molecular weight of Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate?
The molecular weight of Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate is 394.16 g/mol.
Where can I buy Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate?
You can request a quote for Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanol,1-(4-methoxyphenyl)-,3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.