3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 117652-03-6) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-8-propyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethanol
Also Known As: 3-Hmmdb, 5-Methyl-8-propyl-2H-1,3-benzoxazine-3(4H)-ethanol, 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine, 2-(5-methyl-8-propyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethanol, 2H-1,3-Benzoxazine-3(4H)-ethanol,5-methyl-8-propyl-
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 117652-03-6 |
|---|---|
| SMILES | CCCC1=C2C(=C(C=C1)C)CN(CO2)CCO |
| InChIKey | KVVOGCVXVAYLDV-UHFFFAOYSA-N |
Product Overview
3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 117652-03-6), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: 2-(5-methyl-8-propyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethanol.
Chemical Property Profile of 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine. With a topological polar surface area (TPSA) of 32.7 Ų, 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine 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 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine is 117652-03-6.
What is the molecular formula of 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine is C14H21NO2.
What is the molecular weight of 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine is 235.16 g/mol.
Where can I buy 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.