N-(2-Anthracenylmethyl)-N'-nitrosourea
TL;DR: N-(2-Anthracenylmethyl)-N'-nitrosourea (CAS 106871-12-9) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(anthracen-2-ylmethyl)-3-nitrosourea
Also Known As: N-(2-Anthracenylmethyl)-N'-nitrosourea, 4-(3-Triethoxysilylpropyl)Semicarbazide, 1-(anthracen-2-ylmethyl)-3-nitrosourea, Urea, N-(2-anthracenylmethyl)-N'-nitroso-, Urea, N'-2-anthracenyl-N-methyl-N-nitroso-
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 106871-12-9 |
|---|---|
| SMILES | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)CNC(=O)NN=O |
| InChIKey | VWBZARCFNLFHBH-UHFFFAOYSA-N |
Product Overview
N-(2-Anthracenylmethyl)-N'-nitrosourea (CAS 106871-12-9), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 1-(anthracen-2-ylmethyl)-3-nitrosourea.
Chemical Property Profile of N-(2-Anthracenylmethyl)-N'-nitrosourea
Property Insights of N-(2-Anthracenylmethyl)-N'-nitrosourea
The XLogP value of 3.4 indicates that N-(2-Anthracenylmethyl)-N'-nitrosourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Anthracenylmethyl)-N'-nitrosourea. Following Lipinski's Rule of Five, N-(2-Anthracenylmethyl)-N'-nitrosourea 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-(2-Anthracenylmethyl)-N'-nitrosourea?
The CAS number of N-(2-Anthracenylmethyl)-N'-nitrosourea is 106871-12-9.
What is the molecular formula of N-(2-Anthracenylmethyl)-N'-nitrosourea?
The molecular formula of N-(2-Anthracenylmethyl)-N'-nitrosourea is C16H13N3O2.
What is the molecular weight of N-(2-Anthracenylmethyl)-N'-nitrosourea?
The molecular weight of N-(2-Anthracenylmethyl)-N'-nitrosourea is 279.10 g/mol.
Where can I buy N-(2-Anthracenylmethyl)-N'-nitrosourea?
You can request a quote for N-(2-Anthracenylmethyl)-N'-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Anthracenylmethyl)-N'-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Anthracenylmethyl)-N'-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.