Allophanic acid, isopropyl ester
TL;DR: Allophanic acid, isopropyl ester (CAS 763-58-6) is a chemical compound with molecular formula C5H10N2O3 and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-carbamoylcarbamate
Also Known As: isopropyl allophanate, Allophanic acid, isopropyl ester, NIOSH/EY8540480, propan-2-yl N-carbamoylcarbamate, 1-Methylethyl (aminocarbonyl)carbamate
| Molecular Formula | C5H10N2O3 |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 0.1997 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.06914 |
| Heavy Atoms | 10 |
| Complexity | 143.82849 |
Chemical Identifiers
| CAS Number | 763-58-6 |
|---|---|
| SMILES | CC(C)OC(=O)NC(=O)N |
Product Overview
Allophanic acid, isopropyl ester (CAS 763-58-6), with molecular formula C5H10N2O3 and molecular weight 146.07 g/mol. IUPAC: propan-2-yl N-carbamoylcarbamate.
Chemical Property Profile of Allophanic acid, isopropyl ester
Property Insights of Allophanic acid, isopropyl ester
The XLogP value of 0.1997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allophanic acid, isopropyl ester. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Allophanic acid, isopropyl ester. Following Lipinski's Rule of Five, Allophanic acid, isopropyl ester has 2 hydrogen bond donor(s) and 3 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 Allophanic acid, isopropyl ester?
The CAS number of Allophanic acid, isopropyl ester is 763-58-6.
What is the molecular formula of Allophanic acid, isopropyl ester?
The molecular formula of Allophanic acid, isopropyl ester is C5H10N2O3.
What is the molecular weight of Allophanic acid, isopropyl ester?
The molecular weight of Allophanic acid, isopropyl ester is 146.07 g/mol.
Where can I buy Allophanic acid, isopropyl ester?
You can request a quote for Allophanic acid, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allophanic acid, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Allophanic acid, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.