AB00096690-01
TL;DR: AB00096690-01 (CAS 471259-33-3) is a chemical compound with molecular formula C21H29NO6 and molecular weight 391.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AB00096690-01, dimethyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, dimethyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, dimethyl 2-(4-(diethylamino)phenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-DIMETHYL 2-[4-(DIETHYLAMINO)PHENYL]-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
| Molecular Formula | C21H29NO6 |
|---|---|
| Molecular Weight | 391.20 g/mol |
| LogP | 1.9186 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.1995 |
| Heavy Atoms | 28 |
| Complexity | 722.91626 |
Chemical Identifiers
| CAS Number | 471259-33-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC)(C)O)C(=O)OC |
Product Overview
AB00096690-01 (CAS 471259-33-3), with molecular formula C21H29NO6 and molecular weight 391.20 g/mol. IUPAC: dimethyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AB00096690-01
Property Insights of AB00096690-01
The XLogP value of 1.9186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00096690-01. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096690-01. Following Lipinski's Rule of Five, AB00096690-01 has 1 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 AB00096690-01?
The CAS number of AB00096690-01 is 471259-33-3.
What is the molecular formula of AB00096690-01?
The molecular formula of AB00096690-01 is C21H29NO6.
What is the molecular weight of AB00096690-01?
The molecular weight of AB00096690-01 is 391.20 g/mol.
Where can I buy AB00096690-01?
You can request a quote for AB00096690-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096690-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096690-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.