1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate
TL;DR: 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate (CAS 111364-34-2) is a chemical compound with molecular formula C20H30N2O8 and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-propoxyphenyl)carbamate;oxalic acid
Also Known As: 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate, Carbamic acid, (2-propoxyphenyl)-, 1-(methoxymethyl)-2-(1-pyrrolidinyl)ethyl ester, ethanedioate (1:1), (1-methoxy-3-pyrrolidin-1-yl-propan-2-yl) N-(2-propoxyphenyl)carbamate; oxalic acid, (1-methoxy-3-pyrrolidin-1-yl-propan-2-yl) N-(2-propoxyphenyl)carbamate, (1-methoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-propoxyphenyl)carbamate,oxalic acid
| Molecular Formula | C20H30N2O8 |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | 2.2903 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 426.20023 |
| Heavy Atoms | 30 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 111364-34-2 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1NC(=O)OC(CN2CCCC2)COC.C(=O)(C(=O)O)O |
| InChIKey | GJFGIYJATISJFC-UHFFFAOYSA-N |
Product Overview
1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate (CAS 111364-34-2), with molecular formula C20H30N2O8 and molecular weight 426.20 g/mol. IUPAC: (1-methoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-propoxyphenyl)carbamate;oxalic acid.
Chemical Property Profile of 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate
Property Insights of 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate
The XLogP value of 2.2903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate. Following Lipinski's Rule of Five, 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate has 3 hydrogen bond donor(s) and 9 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 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate?
The CAS number of 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate is 111364-34-2.
What is the molecular formula of 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate?
The molecular formula of 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate is C20H30N2O8.
What is the molecular weight of 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate?
The molecular weight of 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate is 426.20 g/mol.
Where can I buy 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate?
You can request a quote for 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.