3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate
TL;DR: 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate (CAS 1196-87-8) is a chemical compound with molecular formula C25H28O3 and molecular weight 376.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl (2S,5S,6R)-tricyclo[4.3.1.12,5]undecane-1-carboxylate
Also Known As: 3-phenoxybenzyl(2s,5s,6r)-tricyclo[4.3.1.12,5]undecane-1-carboxylate, 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate
| Molecular Formula | C25H28O3 |
|---|---|
| Molecular Weight | 376.20 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.20386 |
| Heavy Atoms | 28 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 1196-87-8 |
|---|---|
| SMILES | C1C[C@@H]2CC(C1)([C@H]3CC[C@H]2C3)C(=O)OCC4=CC(=CC=C4)OC5=CC=CC=C5 |
| InChIKey | NWFXJZJRFUOKKE-UZNLOIBPSA-N |
Product Overview
3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate (CAS 1196-87-8), with molecular formula C25H28O3 and molecular weight 376.20 g/mol. IUPAC: (3-phenoxyphenyl)methyl (2S,5S,6R)-tricyclo[4.3.1.12,5]undecane-1-carboxylate.
Chemical Property Profile of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate
Property Insights of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate
The XLogP value of 6.4 indicates that 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate?
The CAS number of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate is 1196-87-8.
What is the molecular formula of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate?
The molecular formula of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate is C25H28O3.
What is the molecular weight of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate?
The molecular weight of 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate is 376.20 g/mol.
Where can I buy 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate?
You can request a quote for 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenoxybenzyl (2S,5S,6R)-tricyclo(4.3.1.1(2,5))undecane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.