3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine
TL;DR: 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine (CAS 27827-58-3) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Also Known As: 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine, 6-propyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol, 2H-1,5-Benzoxazocine, 3,4-dihydro-3-hydroxy-6-propyl-, 2H-1,5-BENZOXAZOCIN-3-OL, 3,4-DIHYDRO-6-PROPYL-, 3,4-Dihydro-6-propyl-2H-1,5-benzoxazocin-3-ol
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 27827-58-3 |
|---|---|
| SMILES | CCCC1=NCC(COC2=CC=CC=C21)O |
| InChIKey | DGZVAPIICDHCBV-UHFFFAOYSA-N |
Product Overview
3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine (CAS 27827-58-3), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 6-propyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol.
Chemical Property Profile of 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine
Property Insights of 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine. With a topological polar surface area (TPSA) of 41.8 Ų, 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine 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 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine?
The CAS number of 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine is 27827-58-3.
What is the molecular formula of 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine?
The molecular formula of 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine is C13H17NO2.
What is the molecular weight of 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine?
The molecular weight of 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine is 219.13 g/mol.
Where can I buy 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine?
You can request a quote for 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-3-hydroxy-6-propyl-1,5-benzoxazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.