二亚苄基丙酮
TL;DR: 二亚苄基丙酮 (CAS 35225-79-7) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二亚苄基丙酮
2-(methylaminomethyl)-4-nitrophenol
Also Known As: 2-[(methylamino)methyl]-4-nitrophenol, NCIOpen2_001844, 2-(methylaminomethyl)-4-nitrophenol, N-methyl-2-hydroxy-5-nitrobenzylamine, 2-((Methylamino)methyl)-4-nitrophenol
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 35225-79-7 |
|---|---|
| SMILES | CNCC1=C(C=CC(=C1)[N+](=O)[O-])O |
| InChIKey | GBBPFSWFIBWIHC-UHFFFAOYSA-N |
Product Overview
二亚苄基丙酮 (CAS 35225-79-7), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: 2-(methylaminomethyl)-4-nitrophenol.
Chemical Property Profile of 二亚苄基丙酮
Property Insights of 二亚苄基丙酮
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二亚苄基丙酮. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 二亚苄基丙酮. Following Lipinski's Rule of Five, 二亚苄基丙酮 has 2 hydrogen bond donor(s) and 4 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 二亚苄基丙酮?
The CAS number of 二亚苄基丙酮 is 35225-79-7.
What is the molecular formula of 二亚苄基丙酮?
The molecular formula of 二亚苄基丙酮 is C8H10N2O3.
What is the molecular weight of 二亚苄基丙酮?
The molecular weight of 二亚苄基丙酮 is 182.07 g/mol.
Where can I buy 二亚苄基丙酮?
You can request a quote for 二亚苄基丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二亚苄基丙酮?
Yes, KEHONG BIO provides custom synthesis services for 二亚苄基丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.