三甲基环三硼氧烷
TL;DR: 三甲基环三硼氧烷 (CAS 823-96-1) is a chemical compound with molecular formula C17H16N2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三甲基环三硼氧烷
N-benzyl-4-methylquinolin-2-amine
Also Known As: Trimethylboroxine, N-benzyl-4-methylquinolin-2-amine, (4-methyl(2-quinolyl))benzylamine, Benzyl-(4-methyl-quinolin-2-yl)-amine, 2-quinolinamine, 4-methyl-n-(phenylmethyl)-
| Molecular Formula | C17H16N2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.13135 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 823-96-1 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)NCC3=CC=CC=C3 |
| InChIKey | JUEAKQUMMBNRJE-UHFFFAOYSA-N |
Product Overview
三甲基环三硼氧烷 (CAS 823-96-1), with molecular formula C17H16N2 and molecular weight 248.13 g/mol. IUPAC: N-benzyl-4-methylquinolin-2-amine.
Chemical Property Profile of 三甲基环三硼氧烷
Property Insights of 三甲基环三硼氧烷
The XLogP value of 4.4 indicates that 三甲基环三硼氧烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 三甲基环三硼氧烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三甲基环三硼氧烷 has 1 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 三甲基环三硼氧烷?
The CAS number of 三甲基环三硼氧烷 is 823-96-1.
What is the molecular formula of 三甲基环三硼氧烷?
The molecular formula of 三甲基环三硼氧烷 is C17H16N2.
What is the molecular weight of 三甲基环三硼氧烷?
The molecular weight of 三甲基环三硼氧烷 is 248.13 g/mol.
Where can I buy 三甲基环三硼氧烷?
You can request a quote for 三甲基环三硼氧烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三甲基环三硼氧烷?
Yes, KEHONG BIO provides custom synthesis services for 三甲基环三硼氧烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.