![(1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one structure](/static/products/121/1212438-40-8.png)
(1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
TL;DR: (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212438-40-8) is a chemical compound with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-11-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C22H21N5O2 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 2.9051 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.16953 |
| Heavy Atoms | 29 |
| Complexity | 1307.7959 |
Chemical Identifiers
| CAS Number | 1212438-40-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4C[C@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5 |
Product Overview
(1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1212438-40-8), with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol. IUPAC: (1S,9R)-11-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Property Insights of (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
The XLogP value of 2.9051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. Following Lipinski's Rule of Five, (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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 5 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-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 1212438-40-8.
What is the molecular formula of (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C22H21N5O2.
What is the molecular weight of (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 387.17 g/mol.
Where can I buy (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-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.