trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one
TL;DR: trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one (CAS 128349-77-9) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,11aS)-1,4,4a,6,7,8,9,11a-octahydropyrido[2,1-b]quinazolin-11-one
Also Known As: trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one, 11H-Pyrido(2,1-b)quinazolin-11-one, 1,4,4a,6,7,8,9,11a-octahydro-, trans-, 1,4,4a,6,7,8,9,11a-Octahydro-11H-pyrido[2,1-b]quinazolin-11-one, (4aS,11aS)-1,4,4a,6,7,8,9,11a-octahydro-11H-pyrido[2,1-b]quinazolin-11-one, (4aS,11aS)-1,4,4a,6,7,8,9,11a-octahydropyrido[2,1-b]quinazolin-11-one
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 128349-77-9 |
|---|---|
| SMILES | C1CCN2C(=N[C@H]3CC=CC[C@@H]3C2=O)C1 |
| InChIKey | AKNLDGCUHGJHEW-UWVGGRQHSA-N |
Product Overview
trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one (CAS 128349-77-9), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: (4aS,11aS)-1,4,4a,6,7,8,9,11a-octahydropyrido[2,1-b]quinazolin-11-one.
Chemical Property Profile of trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one
Property Insights of trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one. With a topological polar surface area (TPSA) of 32.7 Ų, trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one has 0 hydrogen bond donor(s) and 2 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 trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one?
The CAS number of trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one is 128349-77-9.
What is the molecular formula of trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one?
The molecular formula of trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one is C12H16N2O.
What is the molecular weight of trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one?
The molecular weight of trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one is 204.13 g/mol.
Where can I buy trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one?
You can request a quote for trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one?
Yes, KEHONG BIO provides custom synthesis services for trans-1,4,4a,6,7,8,9,11a-Octahydropyrido(2,1-b)quinazolin-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.