Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)
TL;DR: Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) (CAS 68931-09-9) is a chemical compound with molecular formula C20H30NO7- and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;propyl N-(2-octoxyphenyl)carbamate
Also Known As: CARBANILIC ACID, o-(OCTYLOXY)-, 3-(1-PYRROLIDINYL)PROPYL ESTER, OXALATE (1:1), o-(Octyloxy)carbanilic acid 3-(1-pyrrolidinyl)propyl ester oxalate (1:1), Carbamic acid, (2-(octyloxy)phenyl)-, 3-(1-pyrrolidinyl)propyl ester, oxalate, 2-hydroxy-2-oxoacetate; propyl N-(2-octoxyphenyl)carbamate, RefChem:333115
| Molecular Formula | C20H30NO7- |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.20224 |
| Heavy Atoms | 28 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 68931-09-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC=C1NC(=O)OCCC.C(=O)(C(=O)[O-])O |
| InChIKey | KHTWYXJJKAUPCW-UHFFFAOYSA-M |
Product Overview
Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) (CAS 68931-09-9), with molecular formula C20H30NO7- and molecular weight 396.20 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;propyl N-(2-octoxyphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)
Property Insights of Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)
The XLogP value of 3.21 indicates that Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1). Following Lipinski's Rule of Five, Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) has 2 hydrogen bond donor(s) and 7 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 Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)?
The CAS number of Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) is 68931-09-9.
What is the molecular formula of Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)?
The molecular formula of Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) is C20H30NO7-.
What is the molecular weight of Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)?
The molecular weight of Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) is 396.20 g/mol.
Where can I buy Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)?
You can request a quote for Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, o-(octyloxy)-, 3-(1-pyrrolidinyl)propyl ester, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.