n-Butyl allophanate
TL;DR: n-Butyl allophanate (CAS 3147-85-1) 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.
butyl N-carbamoylcarbamate
Also Known As: butyl allophanate, n-Butyl allophanate, allophanic acid butyl ester, butyl N-carbamoylcarbamate
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | 0.5914 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 146.76282 |
Chemical Identifiers
| CAS Number | 3147-85-1 |
|---|---|
| SMILES | CCCCOC(=O)NC(=O)N |
Product Overview
n-Butyl allophanate (CAS 3147-85-1), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: butyl N-carbamoylcarbamate.
Chemical Property Profile of n-Butyl allophanate
Property Insights of n-Butyl allophanate
The XLogP value of 0.5914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butyl allophanate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Butyl allophanate. Following Lipinski's Rule of Five, n-Butyl allophanate 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 n-Butyl allophanate?
The CAS number of n-Butyl allophanate is 3147-85-1.
What is the molecular formula of n-Butyl allophanate?
The molecular formula of n-Butyl allophanate is C6H12N2O3.
What is the molecular weight of n-Butyl allophanate?
The molecular weight of n-Butyl allophanate is 160.08 g/mol.
Where can I buy n-Butyl allophanate?
You can request a quote for n-Butyl allophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl allophanate?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl allophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.