![2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid structure](/static/products/4344/4344-42-7.webp)
2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid
TL;DR: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid (CAS 4344-42-7) is a chemical compound with molecular formula C28H32N2O3 and molecular weight 444.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic acid
Also Known As: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid, 2-(3,6-bis(diethylamino)-9H-xanthen-9-yl)benzoic acid, J1.451.918A, 2-[3,6-Bis(diethylamino)-9H-xanthene-9-yl]benzoic acid
| Molecular Formula | C28H32N2O3 |
|---|---|
| Molecular Weight | 444.24 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.2413 |
| Heavy Atoms | 33 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 4344-42-7 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C4C(=O)O |
| InChIKey | AGCPHOZQIZDSRS-UHFFFAOYSA-N |
Product Overview
2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid (CAS 4344-42-7), with molecular formula C28H32N2O3 and molecular weight 444.24 g/mol. IUPAC: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic acid.
Chemical Property Profile of 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid
Property Insights of 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid
The XLogP value of 6.1 indicates that 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid has 1 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 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid?
The CAS number of 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid is 4344-42-7.
What is the molecular formula of 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid?
The molecular formula of 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid is C28H32N2O3.
What is the molecular weight of 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid?
The molecular weight of 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid is 444.24 g/mol.
Where can I buy 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid?
You can request a quote for 2-[3,6-bis(diethylamino)-9H-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(diethylamino)-9H-xanthen-9-yl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.