C19H21N3.C2H6O
TL;DR: C19H21N3.C2H6O (CAS 2870-28-2) is a chemical compound with molecular formula C21H26N3O+ and molecular weight 336.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethanol;6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine
Also Known As: 5H-Dibenzo(d,f)(1,3)diazepine, 6-(hexahydro-1H-azepin-1-yl)-, compd. with ethanol, 6-(Hexahydro-1H-azepin-1-yl)-5H-dibenzo(d,f)(1,3)diazepine compd. with ethanol, ethanol;6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine, ethanol; 6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine, C19H21N3.C2H6O
| Molecular Formula | C21H26N3O+ |
|---|---|
| Molecular Weight | 336.21 g/mol |
| LogP | 4.42 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.20758 |
| Heavy Atoms | 25 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 2870-28-2 |
|---|---|
| SMILES | CCO.C1CCC=[N+](CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2 |
| InChIKey | IDCQHGIACKVLCK-UHFFFAOYSA-N |
Product Overview
C19H21N3.C2H6O (CAS 2870-28-2), with molecular formula C21H26N3O+ and molecular weight 336.21 g/mol. IUPAC: ethanol;6-(3,4,5,6-tetrahydro-2H-azepin-1-ium-1-yl)-7H-benzo[d][1,3]benzodiazepine.
Chemical Property Profile of C19H21N3.C2H6O
Property Insights of C19H21N3.C2H6O
The XLogP value of 4.42 indicates that C19H21N3.C2H6O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, C19H21N3.C2H6O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H21N3.C2H6O 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 C19H21N3.C2H6O?
The CAS number of C19H21N3.C2H6O is 2870-28-2.
What is the molecular formula of C19H21N3.C2H6O?
The molecular formula of C19H21N3.C2H6O is C21H26N3O+.
What is the molecular weight of C19H21N3.C2H6O?
The molecular weight of C19H21N3.C2H6O is 336.21 g/mol.
Where can I buy C19H21N3.C2H6O?
You can request a quote for C19H21N3.C2H6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H21N3.C2H6O?
Yes, KEHONG BIO provides custom synthesis services for C19H21N3.C2H6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.