2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid
TL;DR: 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid (CAS 116387-69-0) is a chemical compound with molecular formula C26H28N2O3 and molecular weight 416.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid
Also Known As: 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid, 2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic Acid
| Molecular Formula | C26H28N2O3 |
|---|---|
| Molecular Weight | 416.21 g/mol |
| LogP | 5.14122 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.21 |
| Heavy Atoms | 31 |
| Complexity | 1141.3362 |
Chemical Identifiers
| CAS Number | 116387-69-0 |
|---|---|
| SMILES | CCNC1C=C2C(=C(C3=C(O2)C=C(C(=C3)C)NCC)C4=CC=CC=C4C(=O)O)C=C1C |
Product Overview
2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid (CAS 116387-69-0), with molecular formula C26H28N2O3 and molecular weight 416.21 g/mol. IUPAC: 2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid.
Chemical Property Profile of 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid
Property Insights of 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid
The XLogP value of 5.14122 indicates that 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid has 3 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 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid?
The CAS number of 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid is 116387-69-0.
What is the molecular formula of 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid?
The molecular formula of 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid is C26H28N2O3.
What is the molecular weight of 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid?
The molecular weight of 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid is 416.21 g/mol.
Where can I buy 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid?
You can request a quote for 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.