3,6-Diaminoxanthylium
TL;DR: 3,6-Diaminoxanthylium (CAS 77969-76-7) is a chemical compound with molecular formula C13H11N2O+ and molecular weight 211.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-aminoxanthen-3-ylidene)azanium
Also Known As: 3,6-Diaminoxanthylium, Xanthylium, 3,6-diamino-, 6-amino-3h-xanthen-3-iminium, (6-aminoxanthen-3-ylidene)azanium, 3-Iminio-3H-xanthene-6-amine
| Molecular Formula | C13H11N2O+ |
|---|---|
| Molecular Weight | 211.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.08714 |
| Heavy Atoms | 16 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 77969-76-7 |
|---|---|
| SMILES | C1=CC(=[NH2+])C=C2C1=CC3=C(O2)C=C(C=C3)N |
| InChIKey | DJXIADRXORLNJX-UHFFFAOYSA-O |
Product Overview
3,6-Diaminoxanthylium (CAS 77969-76-7), with molecular formula C13H11N2O+ and molecular weight 211.09 g/mol. IUPAC: (6-aminoxanthen-3-ylidene)azanium.
Chemical Property Profile of 3,6-Diaminoxanthylium
Property Insights of 3,6-Diaminoxanthylium
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Diaminoxanthylium. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Diaminoxanthylium. Following Lipinski's Rule of Five, 3,6-Diaminoxanthylium has 2 hydrogen bond donor(s) and 2 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 3,6-Diaminoxanthylium?
The CAS number of 3,6-Diaminoxanthylium is 77969-76-7.
What is the molecular formula of 3,6-Diaminoxanthylium?
The molecular formula of 3,6-Diaminoxanthylium is C13H11N2O+.
What is the molecular weight of 3,6-Diaminoxanthylium?
The molecular weight of 3,6-Diaminoxanthylium is 211.09 g/mol.
Where can I buy 3,6-Diaminoxanthylium?
You can request a quote for 3,6-Diaminoxanthylium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Diaminoxanthylium?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diaminoxanthylium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.