4-Nitrosobibenzyl
TL;DR: 4-Nitrosobibenzyl (CAS 72086-86-3) is a chemical compound with molecular formula C14H13NO and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-4-(2-phenylethyl)benzene
Also Known As: 4-Nitrosobibenzyl, para-Nitrosobibenzyl, 1-nitroso-4-phenethylbenzene, 1-nitroso-4-(2-phenylethyl)benzene, Benzene, 1-nitroso-4-(2-phenylethyl)-
| Molecular Formula | C14H13NO |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.09972 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 72086-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=CC=C(C=C2)N=O |
| InChIKey | YNDICJLZZXHSIX-UHFFFAOYSA-N |
Product Overview
4-Nitrosobibenzyl (CAS 72086-86-3), with molecular formula C14H13NO and molecular weight 211.10 g/mol. IUPAC: 1-nitroso-4-(2-phenylethyl)benzene.
Chemical Property Profile of 4-Nitrosobibenzyl
Property Insights of 4-Nitrosobibenzyl
The XLogP value of 3.5 indicates that 4-Nitrosobibenzyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 4-Nitrosobibenzyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrosobibenzyl has 0 hydrogen bond donor(s) and 2 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 4-Nitrosobibenzyl?
The CAS number of 4-Nitrosobibenzyl is 72086-86-3.
What is the molecular formula of 4-Nitrosobibenzyl?
The molecular formula of 4-Nitrosobibenzyl is C14H13NO.
What is the molecular weight of 4-Nitrosobibenzyl?
The molecular weight of 4-Nitrosobibenzyl is 211.10 g/mol.
Where can I buy 4-Nitrosobibenzyl?
You can request a quote for 4-Nitrosobibenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrosobibenzyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrosobibenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.