J246.603A
TL;DR: J246.603A (CAS 82535-32-8) is a chemical compound with molecular formula C18H21NO2 and molecular weight 283.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(4-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: -2,2-Dimethyl-3- cyclopropanecarboxylicacid methylester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-cyanophenyl)methyl ester, (1R-trans)-, (4-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (4-CYANOPHENYL)METHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE, (4-cyanophenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
| Molecular Formula | C18H21NO2 |
|---|---|
| Molecular Weight | 283.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.15723 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 82535-32-8 |
|---|---|
| SMILES | CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC=C(C=C2)C#N)C |
| InChIKey | MQRCYPSLRFLLOE-CVEARBPZSA-N |
Product Overview
J246.603A (CAS 82535-32-8), with molecular formula C18H21NO2 and molecular weight 283.16 g/mol. IUPAC: cis-(4-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of J246.603A
Property Insights of J246.603A
The XLogP value of 5.2 indicates that J246.603A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, J246.603A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J246.603A 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 J246.603A?
The CAS number of J246.603A is 82535-32-8.
What is the molecular formula of J246.603A?
The molecular formula of J246.603A is C18H21NO2.
What is the molecular weight of J246.603A?
The molecular weight of J246.603A is 283.16 g/mol.
Where can I buy J246.603A?
You can request a quote for J246.603A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J246.603A?
Yes, KEHONG BIO provides custom synthesis services for J246.603A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.