A1984/0083413
TL;DR: A1984/0083413 (CAS 317342-26-0) is a chemical compound with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate
Also Known As: A1984/0083413, diethyl 4-anilino-6-hydroxy-2-{3-nitrophenyl}-6-methyl-3-cyclohexene-1,3-dicarboxylate, diethyl 4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate, 1,3-DIETHYL 6-HYDROXY-6-METHYL-2-(3-NITROPHENYL)-4-(PHENYLAMINO)CYCLOHEX-3-ENE-1,3-DICARBOXYLATE, diethyl 3-hydroxy-3-methyl-3'-nitro-5-(phenylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate
| Molecular Formula | C25H28N2O7 |
|---|---|
| Molecular Weight | 468.19 g/mol |
| LogP | 3.9417 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.18964 |
| Heavy Atoms | 34 |
| Complexity | 1095.4529 |
Chemical Identifiers
| CAS Number | 317342-26-0 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
A1984/0083413 (CAS 317342-26-0), with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol. IUPAC: diethyl 4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate.
Chemical Property Profile of A1984/0083413
Property Insights of A1984/0083413
The XLogP value of 3.9417 indicates that A1984/0083413 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 A1984/0083413. Following Lipinski's Rule of Five, A1984/0083413 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 A1984/0083413?
The CAS number of A1984/0083413 is 317342-26-0.
What is the molecular formula of A1984/0083413?
The molecular formula of A1984/0083413 is C25H28N2O7.
What is the molecular weight of A1984/0083413?
The molecular weight of A1984/0083413 is 468.19 g/mol.
Where can I buy A1984/0083413?
You can request a quote for A1984/0083413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1984/0083413?
Yes, KEHONG BIO provides custom synthesis services for A1984/0083413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.