BoNT-IN-2
TL;DR: BoNT-IN-2 (CAS 354784-03-5) is a chemical compound with molecular formula C25H26N4O and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-(dimethylamino)phenyl]-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
Also Known As: BoNT-IN-2, BoNT-IN-33, AN-655/14614048, 7-[[4-(dimethylamino)phenyl]-[(6-methylpyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol, 7-{[4-(dimethylamino)phenyl][(6-methylpyridin-2-yl)amino]methyl}-2-methylquinolin-8-ol
| Molecular Formula | C25H26N4O |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 5.21974 |
| Topological Polar Surface Area | 61.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.21066 |
| Heavy Atoms | 30 |
| Complexity | 1185.6161 |
Chemical Identifiers
| CAS Number | 354784-03-5 |
|---|---|
| SMILES | CC1=NC(=CC=C1)NC(C2=CC=C(C=C2)N(C)C)C3=C(C4=C(C=CC(=N4)C)C=C3)O |
Product Overview
BoNT-IN-2 (CAS 354784-03-5), with molecular formula C25H26N4O and molecular weight 398.21 g/mol. IUPAC: 7-[[4-(dimethylamino)phenyl]-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
Chemical Property Profile of BoNT-IN-2
Property Insights of BoNT-IN-2
The XLogP value of 5.21974 indicates that BoNT-IN-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BoNT-IN-2. Following Lipinski's Rule of Five, BoNT-IN-2 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BoNT-IN-2?
The CAS number of BoNT-IN-2 is 354784-03-5.
What is the molecular formula of BoNT-IN-2?
The molecular formula of BoNT-IN-2 is C25H26N4O.
What is the molecular weight of BoNT-IN-2?
The molecular weight of BoNT-IN-2 is 398.21 g/mol.
Where can I buy BoNT-IN-2?
You can request a quote for BoNT-IN-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BoNT-IN-2?
Yes, KEHONG BIO provides custom synthesis services for BoNT-IN-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.