5-1-1h-indole-3-aceticacidmethylester
TL;DR: 5-1-1h-indole-3-aceticacidmethylester (CAS 55712-65-7) is a chemical compound with molecular formula C19H9F14NO5 and molecular weight 597.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-3-(2-methoxy-2-oxoethyl)indol-5-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 5-1-1h-indole-3-aceticacidmethylester, 5- -1- -1H-indole-3-aceticacidmethylester, 1H-Indole-3-acetic acid, 5-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, methyl ester, [1-(Perfluorobutanoyl)-3-(2-methoxy-2-oxoethyl)indol-5-yl] perfluorobutanoate, [1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-3-(2-methoxy-2-oxoethyl)indol-5-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C19H9F14NO5 |
|---|---|
| Molecular Weight | 597.03 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 597.0257 |
| Heavy Atoms | 39 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 55712-65-7 |
|---|---|
| SMILES | COC(=O)CC1=CN(C2=C1C=C(C=C2)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | ISMCVTZZOPFBII-UHFFFAOYSA-N |
Product Overview
5-1-1h-indole-3-aceticacidmethylester (CAS 55712-65-7), with molecular formula C19H9F14NO5 and molecular weight 597.03 g/mol. IUPAC: [1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-3-(2-methoxy-2-oxoethyl)indol-5-yl] 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of 5-1-1h-indole-3-aceticacidmethylester
Property Insights of 5-1-1h-indole-3-aceticacidmethylester
The XLogP value of 6.3 indicates that 5-1-1h-indole-3-aceticacidmethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-1-1h-indole-3-aceticacidmethylester. Following Lipinski's Rule of Five, 5-1-1h-indole-3-aceticacidmethylester has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-1-1h-indole-3-aceticacidmethylester?
The CAS number of 5-1-1h-indole-3-aceticacidmethylester is 55712-65-7.
What is the molecular formula of 5-1-1h-indole-3-aceticacidmethylester?
The molecular formula of 5-1-1h-indole-3-aceticacidmethylester is C19H9F14NO5.
What is the molecular weight of 5-1-1h-indole-3-aceticacidmethylester?
The molecular weight of 5-1-1h-indole-3-aceticacidmethylester is 597.03 g/mol.
Where can I buy 5-1-1h-indole-3-aceticacidmethylester?
You can request a quote for 5-1-1h-indole-3-aceticacidmethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-1-1h-indole-3-aceticacidmethylester?
Yes, KEHONG BIO provides custom synthesis services for 5-1-1h-indole-3-aceticacidmethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.