1-Aombc
TL;DR: 1-Aombc (CAS 141979-80-8) is a chemical compound with molecular formula C20H25ClN2O2 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-3-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-6-carboxamide
Also Known As: 1-Aombc, (1R,9S)-3-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-6-carboxamide, N-(1-azabicyclo(2.2.2)octan-3-yl)-8-chloro-2,6-methano-3,4,5,6-tetrahydro-2H-1-benzoxocin-10-carboxa, N-(1-Azabicyclo(2.2.2)octan-3-yl)-8-chloro-2,6-methano-3,4,5,6-tetrahydro-2H-1-benzoxocin-10-carboxamide, (2S,6R)-7-(1-Azabicyclo[2.2.2]octan-3-yl)-8-chloro-3,4,5,6-tetrahydro-2H-2,6-methano-1-benzoxocine-10-carboximidic acid
| Molecular Formula | C20H25ClN2O2 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 3.6667 |
| Topological Polar Surface Area | 55.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.16046 |
| Heavy Atoms | 25 |
| Complexity | 726.8966 |
Chemical Identifiers
| CAS Number | 141979-80-8 |
|---|---|
| SMILES | C1C[C@@H]2C[C@H](C1)OC3=C2C(=C(C=C3C(=O)N)Cl)C4CN5CCC4CC5 |
Product Overview
1-Aombc (CAS 141979-80-8), with molecular formula C20H25ClN2O2 and molecular weight 360.16 g/mol. IUPAC: (1R,9S)-3-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-6-carboxamide.
Chemical Property Profile of 1-Aombc
Property Insights of 1-Aombc
The XLogP value of 3.6667 indicates that 1-Aombc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.56 Ų, 1-Aombc exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aombc 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 1-Aombc?
The CAS number of 1-Aombc is 141979-80-8.
What is the molecular formula of 1-Aombc?
The molecular formula of 1-Aombc is C20H25ClN2O2.
What is the molecular weight of 1-Aombc?
The molecular weight of 1-Aombc is 360.16 g/mol.
Where can I buy 1-Aombc?
You can request a quote for 1-Aombc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aombc?
Yes, KEHONG BIO provides custom synthesis services for 1-Aombc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.