xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt
TL;DR: xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt (CAS 3375-25-5) is a chemical compound with molecular formula C28H30N2O3 and molecular weight 442.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate
Also Known As: Solvent Red 49, Zwitterion, Rhodamine B base, SolventRed49, RHODAMINE B
| Molecular Formula | C28H30N2O3 |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | 4.2263 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.22565 |
| Heavy Atoms | 33 |
| Complexity | 1342.9851 |
Chemical Identifiers
| CAS Number | 3375-25-5 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-] |
Product Overview
xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt (CAS 3375-25-5), with molecular formula C28H30N2O3 and molecular weight 442.23 g/mol. IUPAC: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate.
Chemical Property Profile of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt
Property Insights of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt
The XLogP value of 4.2263 indicates that xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.52 Ų, xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The CAS number of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt is 3375-25-5.
What is the molecular formula of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The molecular formula of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt is C28H30N2O3.
What is the molecular weight of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
The molecular weight of xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt is 442.23 g/mol.
Where can I buy xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
You can request a quote for xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.