![4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one structure](/static/products/6426/64261-44-5.webp)
4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one
TL;DR: 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one (CAS 64261-44-5) is a chemical compound with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one
Also Known As: 1-chloro-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one, 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one
| Molecular Formula | C12H8ClN3O |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.03558 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 64261-44-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)NC3=C1C(=NC=N3)Cl |
| InChIKey | HMYYBDZQZVNGKQ-UHFFFAOYSA-N |
Product Overview
4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one (CAS 64261-44-5), with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol. IUPAC: 1-chloro-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one.
Chemical Property Profile of 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one
Property Insights of 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one. With a topological polar surface area (TPSA) of 54.9 Ų, 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one 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 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one?
The CAS number of 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one is 64261-44-5.
What is the molecular formula of 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one?
The molecular formula of 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one is C12H8ClN3O.
What is the molecular weight of 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one?
The molecular weight of 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one is 245.04 g/mol.
Where can I buy 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one?
You can request a quote for 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.