A1978/0083227
TL;DR: A1978/0083227 (CAS 317342-19-1) is a chemical compound with molecular formula C25H28ClNO5 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate
Also Known As: A1978/0083227, diethyl 4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate, diethyl 4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate, 1,3-DIETHYL 2-(4-CHLOROPHENYL)-6-HYDROXY-6-METHYL-4-(PHENYLAMINO)CYCLOHEX-3-ENE-1,3-DICARBOXYLATE, 2-(4-Chloro-phenyl)-6-hydroxy-6-methyl-4-phenylamino-cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester
| Molecular Formula | C25H28ClNO5 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 4.6869 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.1656 |
| Heavy Atoms | 32 |
| Complexity | 985.1517 |
Chemical Identifiers
| CAS Number | 317342-19-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)Cl |
Product Overview
A1978/0083227 (CAS 317342-19-1), with molecular formula C25H28ClNO5 and molecular weight 457.17 g/mol. IUPAC: diethyl 4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate.
Chemical Property Profile of A1978/0083227
Property Insights of A1978/0083227
The XLogP value of 4.6869 indicates that A1978/0083227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A1978/0083227. Following Lipinski's Rule of Five, A1978/0083227 has 2 hydrogen bond donor(s) and 6 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 A1978/0083227?
The CAS number of A1978/0083227 is 317342-19-1.
What is the molecular formula of A1978/0083227?
The molecular formula of A1978/0083227 is C25H28ClNO5.
What is the molecular weight of A1978/0083227?
The molecular weight of A1978/0083227 is 457.17 g/mol.
Where can I buy A1978/0083227?
You can request a quote for A1978/0083227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1978/0083227?
Yes, KEHONG BIO provides custom synthesis services for A1978/0083227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.