Aniten I
TL;DR: Aniten I (CAS 98150-26-6) is a chemical compound with molecular formula C33H32Cl3NO9 and molecular weight 691.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)acetic acid;3,6-dichloro-2-methoxybenzoic acid;9-hydroxyfluorene-9-carboxylic acid;N-methylmethanamine
Also Known As: Aniten I, 9H-Fluorene-9-carboxylic acid, 9-hydroxy-, mixt. with 3,6-dichloro-2-methoxybenzoic acid and N-methylmethanamine (4-chloro-2-methylphenoxy)acetate, 2-(4-chloro-2-methyl-phenoxy)acetic acid; 3,6-dichloro-2-methoxy-benzoic acid; 9-hydroxyfluorene-9-carboxylic acid; N-methylmethanamine, 2-(4-chloro-2-methylphenoxy)acetic acid; 3,6-dichloro-2-methoxybenzoic acid; 9-hydroxyfluorene-9-carboxylic acid; N-methylmethanamine, RefChem:112847
| Molecular Formula | C33H32Cl3NO9 |
|---|---|
| Molecular Weight | 691.11 g/mol |
| LogP | 6.63512 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 691.11426 |
| Heavy Atoms | 46 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 98150-26-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)O.CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl.C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O |
| InChIKey | QGUIMMDVOFHHDS-UHFFFAOYSA-N |
Product Overview
Aniten I (CAS 98150-26-6), with molecular formula C33H32Cl3NO9 and molecular weight 691.11 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)acetic acid;3,6-dichloro-2-methoxybenzoic acid;9-hydroxyfluorene-9-carboxylic acid;N-methylmethanamine.
Chemical Property Profile of Aniten I
Property Insights of Aniten I
The XLogP value of 6.63512 indicates that Aniten I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Aniten I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aniten I has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aniten I?
The CAS number of Aniten I is 98150-26-6.
What is the molecular formula of Aniten I?
The molecular formula of Aniten I is C33H32Cl3NO9.
What is the molecular weight of Aniten I?
The molecular weight of Aniten I is 691.11 g/mol.
Where can I buy Aniten I?
You can request a quote for Aniten I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniten I?
Yes, KEHONG BIO provides custom synthesis services for Aniten I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.