Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
TL;DR: Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 42729-60-2) is a chemical compound with molecular formula C26H38FNO10 and molecular weight 543.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate
Also Known As: Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(propan-2-yl)pyrrolidin-3-yl 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate (1/1), 2-hydroxypropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate, Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?), RefChem:1078302
| Molecular Formula | C26H38FNO10 |
|---|---|
| Molecular Weight | 543.25 g/mol |
| LogP | 2.7414 |
| Topological Polar Surface Area | 170.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 543.248 |
| Heavy Atoms | 38 |
| Complexity | 966.7756 |
Chemical Identifiers
| CAS Number | 42729-60-2 |
|---|---|
| SMILES | CCC(C)C(C1=C(C=CC(=C1)F)OC)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 42729-60-2), with molecular formula C26H38FNO10 and molecular weight 543.25 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate.
Chemical Property Profile of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
Property Insights of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
The XLogP value of 2.7414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate. The TPSA of 170.9 Ų indicates high polarity, suggesting Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
The CAS number of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate is 42729-60-2.
What is the molecular formula of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular formula of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate is C26H38FNO10.
What is the molecular weight of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular weight of Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate is 543.25 g/mol.
Where can I buy Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
You can request a quote for Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.