2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride (CAS 23150-86-9) is a chemical compound with molecular formula C12H15ClN2O2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride
Also Known As: 4-(3-Pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one hydrochloride, 2H-1,4-BENZOXAZIN-3(4H)-ONE, 4-(3-PYRROLIDINYL)-, HYDROCHLORIDE, 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride, RefChem:1065107
| Molecular Formula | C12H15ClN2O2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | -3.25 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.0822 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 23150-86-9 |
|---|---|
| SMILES | C1C[NH2+]CC1N2C(=O)COC3=CC=CC=C32.[Cl-] |
| InChIKey | XGRQXDGVHGSDCF-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride (CAS 23150-86-9), with molecular formula C12H15ClN2O2 and molecular weight 254.08 g/mol. IUPAC: 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride
The XLogP value of -3.25 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.2 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride 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-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride is 23150-86-9.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride is C12H15ClN2O2.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride is 254.08 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride 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-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-(3-pyrrolidinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.