R(+)-IAA-94
TL;DR: R(+)-IAA-94 (CAS 53108-01-3) is a chemical compound with molecular formula C17H18Cl2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]oxy]acetic acid
Also Known As: R(+)-IAA-94, R(+)-Methylindazone, Indanyloxyacetic acid, Lopac-I-117, Indanyloxyacetic acid 94
| Molecular Formula | C17H18Cl2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 4.3921 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.05823 |
| Heavy Atoms | 23 |
| Complexity | 679.6612 |
Chemical Identifiers
| CAS Number | 53108-01-3 |
|---|---|
| SMILES | C[C@@]1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 |
Product Overview
R(+)-IAA-94 (CAS 53108-01-3), with molecular formula C17H18Cl2O4 and molecular weight 356.06 g/mol. IUPAC: 2-[[(2R)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]oxy]acetic acid.
Chemical Property Profile of R(+)-IAA-94
Property Insights of R(+)-IAA-94
The XLogP value of 4.3921 indicates that R(+)-IAA-94 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for R(+)-IAA-94. Following Lipinski's Rule of Five, R(+)-IAA-94 has 1 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 R(+)-IAA-94?
The CAS number of R(+)-IAA-94 is 53108-01-3.
What is the molecular formula of R(+)-IAA-94?
The molecular formula of R(+)-IAA-94 is C17H18Cl2O4.
What is the molecular weight of R(+)-IAA-94?
The molecular weight of R(+)-IAA-94 is 356.06 g/mol.
Where can I buy R(+)-IAA-94?
You can request a quote for R(+)-IAA-94 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R(+)-IAA-94?
Yes, KEHONG BIO provides custom synthesis services for R(+)-IAA-94 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.