Ro 31-1118
TL;DR: Ro 31-1118 (CAS 86941-03-9) is a chemical compound with molecular formula C23H26O2 and molecular weight 334.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(3-phenylphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Ro 31-1118, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,1'-biphenyl)-3-ylmethyl ester, (1R,3R)-, ([1,1'-Biphenyl]-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, ([1,1'-Biphenyl]-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, (1R)-2beta-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1alpha-carboxylic acid 3-phenylbenzyl ester
| Molecular Formula | C23H26O2 |
|---|---|
| Molecular Weight | 334.19 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.19327 |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 86941-03-9 |
|---|---|
| SMILES | CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)C3=CC=CC=C3)C |
| InChIKey | ISEZPIQHJMUOIR-RTWAWAEBSA-N |
Product Overview
Ro 31-1118 (CAS 86941-03-9), with molecular formula C23H26O2 and molecular weight 334.19 g/mol. IUPAC: cis-(3-phenylphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Ro 31-1118
Property Insights of Ro 31-1118
The XLogP value of 7.1 indicates that Ro 31-1118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ro 31-1118 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 31-1118 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 Ro 31-1118?
The CAS number of Ro 31-1118 is 86941-03-9.
What is the molecular formula of Ro 31-1118?
The molecular formula of Ro 31-1118 is C23H26O2.
What is the molecular weight of Ro 31-1118?
The molecular weight of Ro 31-1118 is 334.19 g/mol.
Where can I buy Ro 31-1118?
You can request a quote for Ro 31-1118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 31-1118?
Yes, KEHONG BIO provides custom synthesis services for Ro 31-1118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.