(3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate
TL;DR: (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate (CAS 98875-08-2) is a chemical compound with molecular formula C21H20O3 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate
Also Known As: (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate, Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (3-phenoxyphenyl)methyl ester, (1alpha,5alpha,6alpha)-, (3-phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo[3.1.0]hex-3-ene-6-carboxylate, (3-phenoxyphenyl)methyl (1R,5S,6R)-3-methylbicyclo[3.1.0]hex-3-ene-6-carboxylate
| Molecular Formula | C21H20O3 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.14124 |
| Heavy Atoms | 24 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 98875-08-2 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@H](C1)[C@@H]2C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | BOLWAQBRKQMXEB-XUVXKRRUSA-N |
Product Overview
(3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate (CAS 98875-08-2), with molecular formula C21H20O3 and molecular weight 320.14 g/mol. IUPAC: (3-phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate
Property Insights of (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate
The XLogP value of 4.0 indicates that (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-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-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate has 0 hydrogen bond donor(s) and 3 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 (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate?
The CAS number of (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate is 98875-08-2.
What is the molecular formula of (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate?
The molecular formula of (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate is C21H20O3.
What is the molecular weight of (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate?
The molecular weight of (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate is 320.14 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate?
You can request a quote for (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl (1R,5R,6S)-3-methylbicyclo(3.1.0)hex-3-ene-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.