Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)
TL;DR: Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) (CAS 10127-36-3) is a chemical compound with molecular formula C17H21ClN4O and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,9-diamino-2-methylphenoxazin-3-ylidene)-diethylazanium chloride
Also Known As: Brilliant Blue C, Brilliant Cresyl Blue BB, Brilliant Cresyl Blue, Brilliant Cresyl Blue ALD, Color Index No. 51010
| Molecular Formula | C17H21ClN4O |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.14038 |
| Heavy Atoms | 23 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 10127-36-3 |
|---|---|
| SMILES | CC[N+](=C1C=C2C(=NC3=C(C=C(C=C3O2)N)N)C=C1C)CC.[Cl-] |
| InChIKey | SMAXQFJSLRKHJE-UHFFFAOYSA-N |
Product Overview
Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) (CAS 10127-36-3), with molecular formula C17H21ClN4O and molecular weight 332.14 g/mol. IUPAC: (7,9-diamino-2-methylphenoxazin-3-ylidene)-diethylazanium chloride.
Chemical Property Profile of Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)
Property Insights of Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)
The XLogP value of -0.78 indicates that Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1). Following Lipinski's Rule of Five, Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) has 2 hydrogen bond donor(s) and 5 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 Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)?
The CAS number of Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) is 10127-36-3.
What is the molecular formula of Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)?
The molecular formula of Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) is C17H21ClN4O.
What is the molecular weight of Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)?
The molecular weight of Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) is 332.14 g/mol.
Where can I buy Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)?
You can request a quote for Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.