![diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate structure](/static/products/330/330216-96-1.png)
diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate
TL;DR: diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate (CAS 330216-96-1) is a chemical compound with molecular formula C26H30N2O7 and molecular weight 482.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate
Also Known As: diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate, diethyl 6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate, diethyl 6-hydroxy-6-methyl-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate
| Molecular Formula | C26H30N2O7 |
|---|---|
| Molecular Weight | 482.21 g/mol |
| LogP | 4.25012 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.2053 |
| Heavy Atoms | 35 |
| Complexity | 1138.6443 |
Chemical Identifiers
| CAS Number | 330216-96-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)C)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate (CAS 330216-96-1), with molecular formula C26H30N2O7 and molecular weight 482.21 g/mol. IUPAC: diethyl 6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate.
Chemical Property Profile of diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate
Property Insights of diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate
The XLogP value of 4.25012 indicates that diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate has 2 hydrogen bond donor(s) and 8 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 diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate?
The CAS number of diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate is 330216-96-1.
What is the molecular formula of diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate?
The molecular formula of diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate is C26H30N2O7.
What is the molecular weight of diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate?
The molecular weight of diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate is 482.21 g/mol.
Where can I buy diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate?
You can request a quote for diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-hydroxy-3-methyl-3'-nitro-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.