AE-848/41029002
TL;DR: AE-848/41029002 (CAS 1005138-48-6) is a chemical compound with molecular formula C27H32O8 and molecular weight 484.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AE-848/41029002, diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diethyl 4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-DIETHYL 2-[4-(BENZYLOXY)-3-METHOXYPHENYL]-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE, diethyl 2-(4-(benzyloxy)-3-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C27H32O8 |
|---|---|
| Molecular Weight | 484.21 g/mol |
| LogP | 3.4402 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.20972 |
| Heavy Atoms | 35 |
| Complexity | 1046.4017 |
Chemical Identifiers
| CAS Number | 1005138-48-6 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC |
Product Overview
AE-848/41029002 (CAS 1005138-48-6), with molecular formula C27H32O8 and molecular weight 484.21 g/mol. IUPAC: diethyl 4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AE-848/41029002
Property Insights of AE-848/41029002
The XLogP value of 3.4402 indicates that AE-848/41029002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41029002. Following Lipinski's Rule of Five, AE-848/41029002 has 1 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 AE-848/41029002?
The CAS number of AE-848/41029002 is 1005138-48-6.
What is the molecular formula of AE-848/41029002?
The molecular formula of AE-848/41029002 is C27H32O8.
What is the molecular weight of AE-848/41029002?
The molecular weight of AE-848/41029002 is 484.21 g/mol.
Where can I buy AE-848/41029002?
You can request a quote for AE-848/41029002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41029002?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41029002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.