F0035-0126
TL;DR: F0035-0126 (CAS 391219-24-2) is a chemical compound with molecular formula C21H27BrN2O3 and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-nitro-6-[(3,5,7-trimethyl-1-adamantyl)methyliminomethyl]phenol
Also Known As: F0035-0126, 2-bromo-4-nitro-6-((Z)-((((3r,5r,7r)-3,5,7-trimethyladamantan-1-yl)methyl)imino)methyl)phenol, 2-bromo-4-nitro-6-[(3,5,7-trimethyl-1-adamantyl)methyliminomethyl]phenol, 2-bromo-4-nitro-6-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H27BrN2O3 |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 5.8685 |
| Topological Polar Surface Area | 75.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.1205 |
| Heavy Atoms | 27 |
| Complexity | 796.5248 |
Chemical Identifiers
| CAS Number | 391219-24-2 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)CN=CC4=C(C(=CC(=C4)[N+](=O)[O-])Br)O)C)C |
Product Overview
F0035-0126 (CAS 391219-24-2), with molecular formula C21H27BrN2O3 and molecular weight 434.12 g/mol. IUPAC: 2-bromo-4-nitro-6-[(3,5,7-trimethyl-1-adamantyl)methyliminomethyl]phenol.
Chemical Property Profile of F0035-0126
Property Insights of F0035-0126
The XLogP value of 5.8685 indicates that F0035-0126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F0035-0126. Following Lipinski's Rule of Five, F0035-0126 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0035-0126?
The CAS number of F0035-0126 is 391219-24-2.
What is the molecular formula of F0035-0126?
The molecular formula of F0035-0126 is C21H27BrN2O3.
What is the molecular weight of F0035-0126?
The molecular weight of F0035-0126 is 434.12 g/mol.
Where can I buy F0035-0126?
You can request a quote for F0035-0126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0035-0126?
Yes, KEHONG BIO provides custom synthesis services for F0035-0126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.