![Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate structure](/static/products/2013/201349-19-1.webp)
Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate
TL;DR: Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate (CAS 201349-19-1) is a chemical compound with molecular formula C45H54O4 and molecular weight 658.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)propanedioate
Also Known As: BAS 00102738, bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate, Bis[4-(1-adamantyl)phenyl] 1-adamantylmalonate, AE-848/32608035, bis(4-(adamantan-1-yl)phenyl) 2-(adamantan-1-yl)malonate
| Molecular Formula | C45H54O4 |
|---|---|
| Molecular Weight | 658.40 g/mol |
| LogP | 9.9658 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 658.4022 |
| Heavy Atoms | 49 |
| Complexity | 1442.1416 |
Chemical Identifiers
| CAS Number | 201349-19-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C(C(=O)OC5=CC=C(C=C5)C67CC8CC(C6)CC(C8)C7)C91CC2CC(C9)CC(C2)C1 |
Product Overview
Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate (CAS 201349-19-1), with molecular formula C45H54O4 and molecular weight 658.40 g/mol. IUPAC: bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)propanedioate.
Chemical Property Profile of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate
Property Insights of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate
The XLogP value of 9.9658 indicates that Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate?
The CAS number of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate is 201349-19-1.
What is the molecular formula of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate?
The molecular formula of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate is C45H54O4.
What is the molecular weight of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate?
The molecular weight of Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate is 658.40 g/mol.
Where can I buy Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate?
You can request a quote for Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.