TL;DR: Carbanilic acid, m-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate (CAS 143503-42-8) is a chemical compound with molecular formula C27H44N2O8 and molecular weight 524.30975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oxalic acid;(1-piperidin-1-yl-3-propoxypropan-2-yl) N-(3-heptoxyphenyl)carbamate
Also Known As: Carbanilic acid, m-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate, Carbamic acid, (3-(heptyloxy)phenyl)-, 1-(1-piperidinylmethyl)-2-propoxyethyl ester, ethanedioate (1:1), oxalic acid; (1-piperidin-1-yl-3-propoxypropan-2-yl) N-(3-heptoxyphenyl)carbamate, Oxalic acid--1-(piperidin-1-yl)-3-propoxypropan-2-yl hydrogen [3-(heptyloxy)phenyl]carbonimidate (1/1), OXALIC ACID; [1-(PIPERIDIN-1-YL)-3-PROPOXY-PROPAN-2-YL] N-(3-HEPTOXYPHENYL)CARBAMATE
| Molecular Formula | C27H44N2O8 |
| Molecular Weight | 524.30975 g/mol |
| XLogP | 5.021 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 524.30975 Da |
| Heavy Atoms | 37 |
| Complexity | 528.0 |
| SMILES | CCCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCC2)COCCC.C(=O)(C(=O)O)O |
| InChIKey | JNILSFHUHRCZOM-UHFFFAOYSA-N |
The XLogP value of 5.021 indicates that Carbanilic acid, m-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl 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-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate. Following Lipinski's Rule of Five, Carbanilic acid, m-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbanilic acid, m-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate is 143503-42-8.
The molecular formula of Carbanilic acid, m-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate is C27H44N2O8.
The molecular weight of Carbanilic acid, m-(heptyloxy)-, 1-(piperidinomethyl)-2-propoxyethyl ester, oxalate is 524.30975 g/mol.
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