6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate
TL;DR: 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate (CAS 33527-22-9) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Also Known As: KST-1A3909, C17H17NO2.1/2H2O, 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate, C17-H17-N-O2.1/2H2O, (5z)-6-(4-methylphenyl)-3,4-dihydro-2h-1,5-benzoxazocin-3-ol
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 33527-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NCC(COC3=CC=CC=C32)O |
| InChIKey | IVUWKRONGZCNSP-UHFFFAOYSA-N |
Product Overview
6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate (CAS 33527-22-9), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: 6-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol.
Chemical Property Profile of 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate
Property Insights of 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate. With a topological polar surface area (TPSA) of 41.8 Ų, 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate 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 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate?
The CAS number of 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate is 33527-22-9.
What is the molecular formula of 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate?
The molecular formula of 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate is C17H17NO2.
What is the molecular weight of 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate?
The molecular weight of 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate is 267.13 g/mol.
Where can I buy 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate?
You can request a quote for 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 6-p-Tolyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.