A1968/0082736
TL;DR: A1968/0082736 (CAS 161265-87-8) is a chemical compound with molecular formula C25H29NO5 and molecular weight 423.20 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-phenylcyclohex-3-ene-1,3-dicarboxylate
Also Known As: A1968/0082736, diethyl 4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate, diethyl 6-hydroxy-6-methyl-2-phenyl-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate, 1,3-DIETHYL 6-HYDROXY-6-METHYL-2-PHENYL-4-(PHENYLAMINO)CYCLOHEX-3-ENE-1,3-DICARBOXYLATE, 6-Hydroxy-6-methyl-2-phenyl-4-phenylamino-cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester
| Molecular Formula | C25H29NO5 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 4.0335 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.20456 |
| Heavy Atoms | 31 |
| Complexity | 936.8994 |
Chemical Identifiers
| CAS Number | 161265-87-8 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3 |
Product Overview
A1968/0082736 (CAS 161265-87-8), with molecular formula C25H29NO5 and molecular weight 423.20 g/mol. IUPAC: diethyl 4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate.
Chemical Property Profile of A1968/0082736
Property Insights of A1968/0082736
The XLogP value of 4.0335 indicates that A1968/0082736 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 A1968/0082736. Following Lipinski's Rule of Five, A1968/0082736 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 A1968/0082736?
The CAS number of A1968/0082736 is 161265-87-8.
What is the molecular formula of A1968/0082736?
The molecular formula of A1968/0082736 is C25H29NO5.
What is the molecular weight of A1968/0082736?
The molecular weight of A1968/0082736 is 423.20 g/mol.
Where can I buy A1968/0082736?
You can request a quote for A1968/0082736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1968/0082736?
Yes, KEHONG BIO provides custom synthesis services for A1968/0082736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.