dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl
TL;DR: dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl (CAS 80037-46-3) is a chemical compound with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylate
Also Known As: dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl, Dimethyl 6,6-dimethyl-4-methylidene-1-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1H-azepine-2,3-dicarboxylate, dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylate
| Molecular Formula | C20H24N2O6 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.16342 |
| Heavy Atoms | 28 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 80037-46-3 |
|---|---|
| SMILES | CC1(CC(=C)C(=C(N(C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC)C |
| InChIKey | MAGXXVCIZLFROV-UHFFFAOYSA-N |
Product Overview
dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl (CAS 80037-46-3), with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol. IUPAC: dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylate.
Chemical Property Profile of dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl
Property Insights of dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl
The XLogP value of 3.5 indicates that dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl. Following Lipinski's Rule of Five, dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl has 0 hydrogen bond donor(s) and 7 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 dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl?
The CAS number of dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl is 80037-46-3.
What is the molecular formula of dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl?
The molecular formula of dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl is C20H24N2O6.
What is the molecular weight of dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl?
The molecular weight of dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl is 388.16 g/mol.
Where can I buy dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl?
You can request a quote for dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.