1-Nitroso-1,3-bis(oxan-4-yl)urea
TL;DR: 1-Nitroso-1,3-bis(oxan-4-yl)urea (CAS 80413-80-5) is a chemical compound with molecular formula C11H19N3O4 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-1,3-bis(oxan-4-yl)urea
Also Known As: 1-nitroso-1,3-bis(oxan-4-yl)urea, N-Nitroso-N,N'-bis(oxan-4-yl)urea
| Molecular Formula | C11H19N3O4 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.13754 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 80413-80-5 |
|---|---|
| SMILES | C1COCCC1NC(=O)N(C2CCOCC2)N=O |
| InChIKey | IRNPXVCTNUCMGK-UHFFFAOYSA-N |
Product Overview
1-Nitroso-1,3-bis(oxan-4-yl)urea (CAS 80413-80-5), with molecular formula C11H19N3O4 and molecular weight 257.14 g/mol. IUPAC: 1-nitroso-1,3-bis(oxan-4-yl)urea.
Chemical Property Profile of 1-Nitroso-1,3-bis(oxan-4-yl)urea
Property Insights of 1-Nitroso-1,3-bis(oxan-4-yl)urea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-1,3-bis(oxan-4-yl)urea. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitroso-1,3-bis(oxan-4-yl)urea. Following Lipinski's Rule of Five, 1-Nitroso-1,3-bis(oxan-4-yl)urea has 1 hydrogen bond donor(s) and 5 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 1-Nitroso-1,3-bis(oxan-4-yl)urea?
The CAS number of 1-Nitroso-1,3-bis(oxan-4-yl)urea is 80413-80-5.
What is the molecular formula of 1-Nitroso-1,3-bis(oxan-4-yl)urea?
The molecular formula of 1-Nitroso-1,3-bis(oxan-4-yl)urea is C11H19N3O4.
What is the molecular weight of 1-Nitroso-1,3-bis(oxan-4-yl)urea?
The molecular weight of 1-Nitroso-1,3-bis(oxan-4-yl)urea is 257.14 g/mol.
Where can I buy 1-Nitroso-1,3-bis(oxan-4-yl)urea?
You can request a quote for 1-Nitroso-1,3-bis(oxan-4-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-1,3-bis(oxan-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-1,3-bis(oxan-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.