Benzyl 1R, trans-chrysanthemate
TL;DR: Benzyl 1R, trans-chrysanthemate (CAS 64312-78-3) is a chemical compound with molecular formula C17H22O2 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-benzyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Benzyl 1R, trans-chrysanthemate, 1R-trans-Chrysanthemsaeure-benzylester, 2,2-dimethyl-3-cyclopropanecarboxylicacidbenzylester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, phenylmethyl ester, (1R,3R)-, cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, phenylmethyl ester,(1r,3r)-
| Molecular Formula | C17H22O2 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.162 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 64312-78-3 |
|---|---|
| SMILES | CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC=CC=C2)C |
| InChIKey | KIODTPOSZZYFIX-CABCVRRESA-N |
Product Overview
Benzyl 1R, trans-chrysanthemate (CAS 64312-78-3), with molecular formula C17H22O2 and molecular weight 258.16 g/mol. IUPAC: cis-benzyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Benzyl 1R, trans-chrysanthemate
Property Insights of Benzyl 1R, trans-chrysanthemate
The XLogP value of 5.5 indicates that Benzyl 1R, trans-chrysanthemate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 1R, trans-chrysanthemate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 1R, trans-chrysanthemate 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 Benzyl 1R, trans-chrysanthemate?
The CAS number of Benzyl 1R, trans-chrysanthemate is 64312-78-3.
What is the molecular formula of Benzyl 1R, trans-chrysanthemate?
The molecular formula of Benzyl 1R, trans-chrysanthemate is C17H22O2.
What is the molecular weight of Benzyl 1R, trans-chrysanthemate?
The molecular weight of Benzyl 1R, trans-chrysanthemate is 258.16 g/mol.
Where can I buy Benzyl 1R, trans-chrysanthemate?
You can request a quote for Benzyl 1R, trans-chrysanthemate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 1R, trans-chrysanthemate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1R, trans-chrysanthemate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.