3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
TL;DR: 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol (CAS 33527-23-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-2,4-dihydro-1,5-benzoxazocin-3-ol
Also Known As: KST-1A3910, 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol, 3,6-dimethyl-2,4-dihydro-1,5-benzoxazocin-3-ol, (5z)-3,6-dimethyl-3,4-dihydro-2h-1,5-benzoxazocin-3-ol, 2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-3,6-dimethyl-
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 33527-23-0 |
|---|---|
| SMILES | CC1=NCC(COC2=CC=CC=C12)(C)O |
| InChIKey | LKESLTLVHWUQRM-UHFFFAOYSA-N |
Product Overview
3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol (CAS 33527-23-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 3,6-dimethyl-2,4-dihydro-1,5-benzoxazocin-3-ol.
Chemical Property Profile of 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Property Insights of 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol. With a topological polar surface area (TPSA) of 41.8 Ų, 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol 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 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol?
The CAS number of 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol is 33527-23-0.
What is the molecular formula of 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol?
The molecular formula of 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol is C12H15NO2.
What is the molecular weight of 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol?
The molecular weight of 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol is 205.11 g/mol.
Where can I buy 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol?
You can request a quote for 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.