2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride
TL;DR: 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride (CAS 49830-98-0) is a chemical compound with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-1-ium-1-ylethanone chloride
Also Known As: BU 533, 4-Piperidinoacetyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride, 2H-1,4-BENZOXAZINE, 3,4-DIHYDRO-4-(1-PIPERIDINYLACETYL)-, MONOHYDROCHLORIDE, 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-1-ium-1-ylethanone chloride, 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-1-ium-1-ylethanone,chloride
| Molecular Formula | C15H21ClN2O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | -2.52 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.12915 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 49830-98-0 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC(=O)N2CCOC3=CC=CC=C32.[Cl-] |
| InChIKey | UCYKNNMRVYCZCN-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride (CAS 49830-98-0), with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-1-ium-1-ylethanone chloride.
Chemical Property Profile of 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride
Property Insights of 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride
The XLogP value of -2.52 indicates that 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride has 1 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 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride?
The CAS number of 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride is 49830-98-0.
What is the molecular formula of 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride?
The molecular formula of 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride is C15H21ClN2O2.
What is the molecular weight of 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride?
The molecular weight of 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride is 296.13 g/mol.
Where can I buy 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride?
You can request a quote for 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine, 3,4-dihydro-4-(1-piperidinylacetyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.