Allophanic acid, isobutyl ester
TL;DR: Allophanic acid, isobutyl ester (CAS 31598-85-3) 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.
2-methylpropyl N-carbamoylcarbamate
Also Known As: allophanic acid isobutyl ester, Allophanic acid, isobutyl ester, NIOSH/EY8540710, 2-methylpropyl N-carbamoylcarbamate, 2-Methylpropyl (aminocarbonyl)carbamate
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | 0.4473 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 155.90639 |
Chemical Identifiers
| CAS Number | 31598-85-3 |
|---|---|
| SMILES | CC(C)COC(=O)NC(=O)N |
Product Overview
Allophanic acid, isobutyl ester (CAS 31598-85-3), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: 2-methylpropyl N-carbamoylcarbamate.
Chemical Property Profile of Allophanic acid, isobutyl ester
Property Insights of Allophanic acid, isobutyl ester
The XLogP value of 0.4473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allophanic acid, isobutyl ester. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Allophanic acid, isobutyl ester. Following Lipinski's Rule of Five, Allophanic acid, isobutyl 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, isobutyl ester?
The CAS number of Allophanic acid, isobutyl ester is 31598-85-3.
What is the molecular formula of Allophanic acid, isobutyl ester?
The molecular formula of Allophanic acid, isobutyl ester is C6H12N2O3.
What is the molecular weight of Allophanic acid, isobutyl ester?
The molecular weight of Allophanic acid, isobutyl ester is 160.08 g/mol.
Where can I buy Allophanic acid, isobutyl ester?
You can request a quote for Allophanic acid, isobutyl 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, isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Allophanic acid, isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.