2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride
TL;DR: 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride (CAS 126807-04-3) is a chemical compound with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-pentoxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazine;hydrochloride
Also Known As: Octahydro-4-methyl-2-(pentyloxy)-2-phenyl-2H-1,4-benzoxazine hydrochloride, 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride, 4-Methyl-2-(pentyloxy)-2-phenyloctahydro-2H-1,4-benzoxazine--hydrogen chloride (1/1), 4-methyl-2-pentoxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazine hydrochloride, RefChem:1065140
| Molecular Formula | C20H32ClNO2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 4.7412 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.21216 |
| Heavy Atoms | 24 |
| Complexity | 483.78702 |
Chemical Identifiers
| CAS Number | 126807-04-3 |
|---|---|
| SMILES | CCCCCOC1(CN(C2CCCCC2O1)C)C3=CC=CC=C3.Cl |
Product Overview
2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride (CAS 126807-04-3), with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol. IUPAC: 4-methyl-2-pentoxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazine;hydrochloride.
Chemical Property Profile of 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride
Property Insights of 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride
The XLogP value of 4.7412 indicates that 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride has 0 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, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride?
The CAS number of 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride is 126807-04-3.
What is the molecular formula of 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride?
The molecular formula of 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride is C20H32ClNO2.
What is the molecular weight of 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride?
The molecular weight of 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride is 353.21 g/mol.
Where can I buy 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride?
You can request a quote for 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, 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-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.