1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride
TL;DR: 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride (CAS 21977-22-0) is a chemical compound with molecular formula C15H23Cl3N2O and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride
Also Known As: 1H-2,3-Benzoxazine, 7-chloro-3,4-dihydro-3-(2-piperidinoethyl)-, dihydrochloride, 1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-CHLORO-3-(2-PIPERIDINOETHYL)-, DIHYDROCHLORIDE, 7-chloro-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride, 7-Chloro-3-(2-piperidinoethyl)-3,4-dihydro-1H-2,3-benzoxazine dihydrochloride, RefChem:1057764
| Molecular Formula | C15H23Cl3N2O |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | -5.75 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0876 |
| Heavy Atoms | 21 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 21977-22-0 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC[NH+]2CC3=C(CO2)C=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | GDTRBAWPVCBCJA-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride (CAS 21977-22-0), with molecular formula C15H23Cl3N2O and molecular weight 352.09 g/mol. IUPAC: 7-chloro-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride.
Chemical Property Profile of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride
Property Insights of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride
The XLogP value of -5.75 indicates that 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.1 Ų, 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 3 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-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride?
The CAS number of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride is 21977-22-0.
What is the molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride?
The molecular formula of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride is C15H23Cl3N2O.
What is the molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride?
The molecular weight of 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride is 352.09 g/mol.
Where can I buy 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride?
You can request a quote for 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.