![(1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/121/1212464-65-7.png)
(1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
TL;DR: (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212464-65-7) is a chemical compound with molecular formula C18H19BrN2O2 and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-11-[(5-bromo-2-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one, (1S,5S)-3-(5-bromo-2-hydroxybenzyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
| Molecular Formula | C18H19BrN2O2 |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 2.9357 |
| Topological Polar Surface Area | 45.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.063 |
| Heavy Atoms | 23 |
| Complexity | 801.8489 |
Chemical Identifiers
| CAS Number | 1212464-65-7 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)CC4=C(C=CC(=C4)Br)O |
Product Overview
(1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212464-65-7), with molecular formula C18H19BrN2O2 and molecular weight 374.06 g/mol. IUPAC: (1S,9S)-11-[(5-bromo-2-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Property Insights of (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 2.9357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. With a topological polar surface area (TPSA) of 45.47 Ų, (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one 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 (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The CAS number of (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 1212464-65-7.
What is the molecular formula of (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The molecular formula of (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C18H19BrN2O2.
What is the molecular weight of (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
The molecular weight of (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 374.06 g/mol.
Where can I buy (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
You can request a quote for (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,5S)-3-(5-bromo-2-hydroxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.