TL;DR: Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate (CAS 143503-31-5) is a chemical compound with molecular formula C23H36N2O8 and molecular weight 468.24716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oxalic acid;(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
Also Known As: Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate, Carbamic acid, (3-butoxyphenyl)-, 1-(propoxymethyl)-2-(1-pyrrolidinyl)ethyl ester, ethanedioate (1:1), Oxalic acid--1-propoxy-3-(pyrrolidin-1-yl)propan-2-yl hydrogen (3-butoxyphenyl)carbonimidate (1/1), oxalic acid; (1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
| Molecular Formula | C23H36N2O8 |
| Molecular Weight | 468.24716 g/mol |
| XLogP | 3.4606 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 468.24716 Da |
| Heavy Atoms | 33 |
| Complexity | 473.0 |
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCC2)COCCC.C(=O)(C(=O)O)O |
| InChIKey | RTYBJNHQYJMNDC-UHFFFAOYSA-N |
The XLogP value of 3.4606 indicates that Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate. Following Lipinski's Rule of Five, Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate is 143503-31-5.
The molecular formula of Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate is C23H36N2O8.
The molecular weight of Carbanilic acid, m-butoxy-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate is 468.24716 g/mol.
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