![5,9-Diaminobenzo[a]phenoxazin-7-ium chloride structure](/static/products/635/63594-68-3.png)
5,9-Diaminobenzo[a]phenoxazin-7-ium chloride
TL;DR: 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride (CAS 63594-68-3) is a chemical compound with molecular formula C16H12ClN3O and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-aminobenzo[a]phenoxazin-5-ylidene)azanium chloride
Also Known As: 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride
| Molecular Formula | C16H12ClN3O |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | -1.6682 |
| Topological Polar Surface Area | 77.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.0669 |
| Heavy Atoms | 21 |
| Complexity | 993.52 |
Chemical Identifiers
| CAS Number | 63594-68-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=[NH2+])C=C3C2=NC4=C(O3)C=C(C=C4)N.[Cl-] |
Product Overview
5,9-Diaminobenzo[a]phenoxazin-7-ium chloride (CAS 63594-68-3), with molecular formula C16H12ClN3O and molecular weight 297.07 g/mol. IUPAC: (9-aminobenzo[a]phenoxazin-5-ylidene)azanium chloride.
Chemical Property Profile of 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride
Property Insights of 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride
The XLogP value of -1.6682 indicates that 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride. Following Lipinski's Rule of Five, 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride has 2 hydrogen bond donor(s) and 3 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 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride?
The CAS number of 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride is 63594-68-3.
What is the molecular formula of 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride?
The molecular formula of 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride is C16H12ClN3O.
What is the molecular weight of 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride?
The molecular weight of 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride is 297.07 g/mol.
Where can I buy 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride?
You can request a quote for 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 5,9-Diaminobenzo[a]phenoxazin-7-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.