1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride
TL;DR: 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride (CAS 22756-17-8) is a chemical compound with molecular formula C21H29Cl3N4OS and molecular weight 490.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol;dihydrochloride
Also Known As: 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride, 10-(3-(4-Oxyaethylhomopiperazino)propyl-(1))-2-chlor-4-azaphenthiazin dihydrochlorid [German], 10-(3-(4-Oxyaethylhomopiperazino)propyl-(1))-2-chlor-4-azaphenthiazin dihydrochlorid, 2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol;dihydrochloride, 2-{4-[3-(3-chloro-10h-pyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl}ethanol dihydrochloride
| Molecular Formula | C21H29Cl3N4OS |
|---|---|
| Molecular Weight | 490.11 g/mol |
| LogP | 4.5714 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.11276 |
| Heavy Atoms | 30 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 22756-17-8 |
|---|---|
| SMILES | C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3SC4=C2N=CC(=C4)Cl.Cl.Cl |
| InChIKey | DZBNGFQESQYKRN-UHFFFAOYSA-N |
Product Overview
1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride (CAS 22756-17-8), with molecular formula C21H29Cl3N4OS and molecular weight 490.11 g/mol. IUPAC: 2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride
Property Insights of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride
The XLogP value of 4.5714 indicates that 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride. Following Lipinski's Rule of Five, 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 6 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 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride?
The CAS number of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride is 22756-17-8.
What is the molecular formula of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride?
The molecular formula of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride is C21H29Cl3N4OS.
What is the molecular weight of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride?
The molecular weight of 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride is 490.11 g/mol.
Where can I buy 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride?
You can request a quote for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.