![Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride structure](/static/products/1368/136825-96-2.webp)
Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride
TL;DR: Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride (CAS 136825-96-2) is a chemical compound with molecular formula C22H24ClN3S and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium chloride
Also Known As: EtNBS, 5-Ethylamino-9-diethylaminobenzo(a)phenothiazinium, diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride, 5-Ethylamino-9-diethylaminobenzo(a)phenothiazinium chloride, 5-N,9-N,9-N-triethyl-12H-benzo[a]phenothiazin-12-ium-5,9-diamine
| Molecular Formula | C22H24ClN3S |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 1.8021 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.13794 |
| Heavy Atoms | 27 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 136825-96-2 |
|---|---|
| SMILES | CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=CC(=[N+](CC)CC)C=C4S2.[Cl-] |
| InChIKey | QYNCZLPRFXWLEN-UHFFFAOYSA-N |
Product Overview
Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride (CAS 136825-96-2), with molecular formula C22H24ClN3S and molecular weight 397.14 g/mol. IUPAC: diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium chloride.
Chemical Property Profile of Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride
Property Insights of Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride
The XLogP value of 1.8021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride. With a topological polar surface area (TPSA) of 52.7 Ų, Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;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 Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride?
The CAS number of Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride is 136825-96-2.
What is the molecular formula of Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride?
The molecular formula of Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride is C22H24ClN3S.
What is the molecular weight of Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride?
The molecular weight of Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride is 397.14 g/mol.
Where can I buy Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride?
You can request a quote for Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.