Allophanic acid, tert-butyl ester
TL;DR: Allophanic acid, tert-butyl ester (CAS 31598-86-4) is a chemical compound with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-carbamoylcarbamate
Also Known As: boc-urea, allophanic acid tert-butyl ester, Allophanic acid, tert-butyl ester, tert-butyl N-carbamoylcarbamate, NIOSH/EY8540392
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | 0.5898 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 171.15643 |
Chemical Identifiers
| CAS Number | 31598-86-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(=O)N |
Product Overview
Allophanic acid, tert-butyl ester (CAS 31598-86-4), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: tert-butyl N-carbamoylcarbamate.
Chemical Property Profile of Allophanic acid, tert-butyl ester
Property Insights of Allophanic acid, tert-butyl ester
The XLogP value of 0.5898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allophanic acid, tert-butyl ester. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Allophanic acid, tert-butyl ester. Following Lipinski's Rule of Five, Allophanic acid, tert-butyl 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, tert-butyl ester?
The CAS number of Allophanic acid, tert-butyl ester is 31598-86-4.
What is the molecular formula of Allophanic acid, tert-butyl ester?
The molecular formula of Allophanic acid, tert-butyl ester is C6H12N2O3.
What is the molecular weight of Allophanic acid, tert-butyl ester?
The molecular weight of Allophanic acid, tert-butyl ester is 160.08 g/mol.
Where can I buy Allophanic acid, tert-butyl ester?
You can request a quote for Allophanic acid, tert-butyl 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, tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Allophanic acid, tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.