7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride
TL;DR: 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride (CAS 4712-70-3) is a chemical compound with molecular formula C17H20ClN3O and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-amino-2-methylphenoxazin-3-ylidene)-diethylazanium chloride
Also Known As: Brilliant Cresyl Blue, Bright Cresol Blue, CRESYL BLUE, 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride, Boc-(S)-3-Amino-3-(3-fluoro-phenyl)-propionicacid
| Molecular Formula | C17H20ClN3O |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | -0.36 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.1295 |
| Heavy Atoms | 22 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 4712-70-3 |
|---|---|
| SMILES | CC[N+](=C1C=C2C(=NC3=C(O2)C=C(C=C3)N)C=C1C)CC.[Cl-] |
| InChIKey | XMAQRXBYSXSCFU-UHFFFAOYSA-N |
Product Overview
7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride (CAS 4712-70-3), with molecular formula C17H20ClN3O and molecular weight 317.13 g/mol. IUPAC: (7-amino-2-methylphenoxazin-3-ylidene)-diethylazanium chloride.
Chemical Property Profile of 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride
Property Insights of 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride
The XLogP value of -0.36 indicates that 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.6 Ų, 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride has 1 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 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride?
The CAS number of 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride is 4712-70-3.
What is the molecular formula of 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride?
The molecular formula of 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride is C17H20ClN3O.
What is the molecular weight of 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride?
The molecular weight of 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride is 317.13 g/mol.
Where can I buy 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride?
You can request a quote for 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.