![(1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/121/1212462-75-3.png)
(1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
TL;DR: (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212462-75-3) is a chemical compound with molecular formula C19H21BrN2O3 and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R)-11-[(2-bromo-3-hydroxy-4-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C19H21BrN2O3 |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 2.9443 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.07355 |
| Heavy Atoms | 25 |
| Complexity | 864.2331 |
Chemical Identifiers
| CAS Number | 1212462-75-3 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CN2C[C@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Br)O |
Product Overview
(1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212462-75-3), with molecular formula C19H21BrN2O3 and molecular weight 404.07 g/mol. IUPAC: (1R,9R)-11-[(2-bromo-3-hydroxy-4-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Property Insights of (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 2.9443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-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 54.7 Ų, (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-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-(2-bromo-3-hydroxy-4-methoxybenzyl)-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 4 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-(2-bromo-3-hydroxy-4-methoxybenzyl)-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-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 1212462-75-3.
What is the molecular formula of (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-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-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C19H21BrN2O3.
What is the molecular weight of (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-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-(2-bromo-3-hydroxy-4-methoxybenzyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 404.07 g/mol.
Where can I buy (1R,5S)-3-(2-bromo-3-hydroxy-4-methoxybenzyl)-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-(2-bromo-3-hydroxy-4-methoxybenzyl)-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-(2-bromo-3-hydroxy-4-methoxybenzyl)-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-(2-bromo-3-hydroxy-4-methoxybenzyl)-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.