![2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one structure](/static/products/5739/573975-44-7.webp)
2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one
TL;DR: 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one (CAS 573975-44-7) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6,7,8,9,10,11-hexahydropyrimido[6,1-a]isoquinolin-4-one
Also Known As: N-Allyl-anthranilsaeure, 2-CHLORO-6,7,8,9,10,11-HEXAHYDRO-4H-PYRIMIDO[6,1-A]ISOQUINOLIN-4-ONE, 2-chloro-6,7,8,9,10,11-hexahydropyrimido[6,1-a]isoquinolin-4-one, 4h-pyrimido[6,1-a]isoquinolin-4-one,2-chloro-6,7,8,9,10,11-hexahydro-, 4H-Pyrimido[6,1-a]isoquinolin-4-one,2-chloro-6,7,8,9,10,11-hexahydro-(9CI)
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.628 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 530.31055 |
Chemical Identifiers
| CAS Number | 573975-44-7 |
|---|---|
| SMILES | C1CCC2=C(C1)CCN3C2=CC(=NC3=O)Cl |
Product Overview
2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one (CAS 573975-44-7), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 2-chloro-6,7,8,9,10,11-hexahydropyrimido[6,1-a]isoquinolin-4-one.
Chemical Property Profile of 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one
Property Insights of 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one
The XLogP value of 2.628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-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 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one?
The CAS number of 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one is 573975-44-7.
What is the molecular formula of 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one?
The molecular formula of 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one is C12H13ClN2O.
What is the molecular weight of 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one?
The molecular weight of 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one is 236.07 g/mol.
Where can I buy 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one?
You can request a quote for 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6,7,8,9,10,11-hexahydro-4H-pyrimido[6,1-A]isoquinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.