9-Anthracenylmethyl 2,4,6-trimethylbenzoate
TL;DR: 9-Anthracenylmethyl 2,4,6-trimethylbenzoate (CAS 51513-47-4) is a chemical compound with molecular formula C25H22O2 and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
anthracen-9-ylmethyl 2,4,6-trimethylbenzoate
Also Known As: 9-anthracenylmethyl, BIDD:GT0122, Anthracen-9-ylmethyl 2,4,6-trimethylbenzoate, 9-ANTHRACENYLMETHYL 2,4,6-TRIMETHYLBENZOATE, (ANTHRACEN-9-YL)METHYL 2,4,6-TRIMETHYLBENZOATE
| Molecular Formula | C25H22O2 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 6.27526 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.162 |
| Heavy Atoms | 27 |
| Complexity | 1094.4922 |
Chemical Identifiers
| CAS Number | 51513-47-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)OCC2=C3C=CC=CC3=CC4=CC=CC=C42)C |
Product Overview
9-Anthracenylmethyl 2,4,6-trimethylbenzoate (CAS 51513-47-4), with molecular formula C25H22O2 and molecular weight 354.16 g/mol. IUPAC: anthracen-9-ylmethyl 2,4,6-trimethylbenzoate.
Chemical Property Profile of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate
Property Insights of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate
The XLogP value of 6.27526 indicates that 9-Anthracenylmethyl 2,4,6-trimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 9-Anthracenylmethyl 2,4,6-trimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Anthracenylmethyl 2,4,6-trimethylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate?
The CAS number of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate is 51513-47-4.
What is the molecular formula of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate?
The molecular formula of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate is C25H22O2.
What is the molecular weight of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate?
The molecular weight of 9-Anthracenylmethyl 2,4,6-trimethylbenzoate is 354.16 g/mol.
Where can I buy 9-Anthracenylmethyl 2,4,6-trimethylbenzoate?
You can request a quote for 9-Anthracenylmethyl 2,4,6-trimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Anthracenylmethyl 2,4,6-trimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 9-Anthracenylmethyl 2,4,6-trimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.