![[1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea structure](/static/products/3112/31127-15-8.webp)
[1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea
TL;DR: [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea (CAS 31127-15-8) is a chemical compound with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-benzodioxol-5-ylmethyl(nitroso)amino]urea
Also Known As: [1,3-benzodioxol-5-ylmethyl(nitroso)amino]urea|2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-oxotriazane-1-carboxamide|HYDRAZINECARBOXAMIDE,2-(1,3-BENZODIOXOL-5-YLMETHYL)-2-NITROSO-
| Molecular Formula | C9H10N4O4 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0702 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 31127-15-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN(NC(=O)N)N=O |
| InChIKey | NFOZZYNVMKQQDZ-UHFFFAOYSA-N |
Product Overview
[1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea (CAS 31127-15-8), with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol. IUPAC: [1,3-benzodioxol-5-ylmethyl(nitroso)amino]urea.
Chemical Property Profile of [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea
Property Insights of [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea. Following Lipinski's Rule of Five, [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea has 2 hydrogen bond donor(s) and 6 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 [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea?
The CAS number of [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea is 31127-15-8.
What is the molecular formula of [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea?
The molecular formula of [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea is C9H10N4O4.
What is the molecular weight of [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea?
The molecular weight of [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea is 238.07 g/mol.
Where can I buy [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea?
You can request a quote for [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea?
Yes, KEHONG BIO provides custom synthesis services for [1,3-Benzodioxol-5-ylmethyl(nitroso)amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.