![(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate structure](/static/products/170/170591-51-2.png)
(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate
TL;DR: (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate (CAS 170591-51-2) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-acetyloxy-3-methoxybenzoate
Also Known As: (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 3.9921 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 708.0381 |
Chemical Identifiers
| CAS Number | 170591-51-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(=O)O[C@H]2C[C@H]3CC[C@@]2(C3(C)C)C)OC |
Product Overview
(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate (CAS 170591-51-2), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: [(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-acetyloxy-3-methoxybenzoate.
Chemical Property Profile of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate
Property Insights of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate
The XLogP value of 3.9921 indicates that (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate. Following Lipinski's Rule of Five, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate has 0 hydrogen bond donor(s) and 5 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 (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate?
The CAS number of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate is 170591-51-2.
What is the molecular formula of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate?
The molecular formula of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate is C20H26O5.
What is the molecular weight of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate?
The molecular weight of (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate is 346.18 g/mol.
Where can I buy (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate?
You can request a quote for (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-(acetyloxy)-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.