RefChem:1092055
TL;DR: RefChem:1092055 (CAS 22304-39-8) is a chemical compound with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl(pentyl)azanium chloride
Also Known As: 3,4-Dihydro-N-pentyl-2H-1,4-benzoxazine-2-carboxamide hydrochloride, 2H-1,4-BENZOXAZINE-2-CARBOXAMIDE, 3,4-DIHYDRO-N-PENTYL-, MONOHYDROCHLORIDE, 3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl(pentyl)azanium chloride, N-Pentyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboximidic acid--hydrogen chloride (1/1), RefChem:1092055
| Molecular Formula | C14H21ClN2O2 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | -1.86 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.12915 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 22304-39-8 |
|---|---|
| SMILES | CCCCC[NH2+]C(=O)C1CNC2=CC=CC=C2O1.[Cl-] |
| InChIKey | VSUDGVOBUPGXEA-UHFFFAOYSA-N |
Product Overview
RefChem:1092055 (CAS 22304-39-8), with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol. IUPAC: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl(pentyl)azanium chloride.
Chemical Property Profile of RefChem:1092055
Property Insights of RefChem:1092055
The XLogP value of -1.86 indicates that RefChem:1092055 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.9 Ų, RefChem:1092055 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1092055 has 2 hydrogen bond donor(s) and 4 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 RefChem:1092055?
The CAS number of RefChem:1092055 is 22304-39-8.
What is the molecular formula of RefChem:1092055?
The molecular formula of RefChem:1092055 is C14H21ClN2O2.
What is the molecular weight of RefChem:1092055?
The molecular weight of RefChem:1092055 is 284.13 g/mol.
Where can I buy RefChem:1092055?
You can request a quote for RefChem:1092055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1092055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1092055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.