1-(4-N-甲基-N-亚硝氨基亚苄基)茚
TL;DR: 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 (CAS 16699-07-3) is a chemical compound with molecular formula C17H14N2O and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-N-甲基-N-亚硝氨基亚苄基)茚
N-[4-(inden-1-ylidenemethyl)phenyl]-N-methylnitrous amide
Also Known As: NCIOpen2_006799, 1-(4-N-Methyl-N-nitrosaminobenzylidene)indene, Indene, 1-(4-N-methyl-N-nitrosaminobenzylidene)-, Benzenamine, 4-(1H-inden-1-ylidenemethyl)-N-methyl-N-nitroso-, 4-(1-H-Inden-1-ylidenemethyl)-N-methyl-N-nitrosobenzenamine
| Molecular Formula | C17H14N2O |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.11063 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 16699-07-3 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32)N=O |
| InChIKey | SDGUDTKZDLHXCZ-UHFFFAOYSA-N |
Product Overview
1-(4-N-甲基-N-亚硝氨基亚苄基)茚 (CAS 16699-07-3), with molecular formula C17H14N2O and molecular weight 262.11 g/mol. IUPAC: N-[4-(inden-1-ylidenemethyl)phenyl]-N-methylnitrous amide.
Chemical Property Profile of 1-(4-N-甲基-N-亚硝氨基亚苄基)茚
Property Insights of 1-(4-N-甲基-N-亚硝氨基亚苄基)茚
The XLogP value of 4.1 indicates that 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 has 0 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 1-(4-N-甲基-N-亚硝氨基亚苄基)茚?
The CAS number of 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 is 16699-07-3.
What is the molecular formula of 1-(4-N-甲基-N-亚硝氨基亚苄基)茚?
The molecular formula of 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 is C17H14N2O.
What is the molecular weight of 1-(4-N-甲基-N-亚硝氨基亚苄基)茚?
The molecular weight of 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 is 262.11 g/mol.
Where can I buy 1-(4-N-甲基-N-亚硝氨基亚苄基)茚?
You can request a quote for 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-N-甲基-N-亚硝氨基亚苄基)茚?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-N-甲基-N-亚硝氨基亚苄基)茚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.