4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one
TL;DR: 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one (CAS 64261-87-6) is a chemical compound with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-5-methyl-11H-pyrimido[4,5-c][2]benzazepin-6-one
Also Known As: 1-(2-methylpropyl)-4-prop-1-ynylbenzene, 1-chloro-5-methyl-11H-pyrimido[4,5-c][2]benzazepin-6-one, 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one, 3-[(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylpropanamide, 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one
| Molecular Formula | C13H10ClN3O |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.05124 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 64261-87-6 |
|---|---|
| SMILES | CN1C2=C(CC3=CC=CC=C3C1=O)C(=NC=N2)Cl |
| InChIKey | BPXGGZBTRPBWBG-UHFFFAOYSA-N |
Product Overview
4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one (CAS 64261-87-6), with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol. IUPAC: 1-chloro-5-methyl-11H-pyrimido[4,5-c][2]benzazepin-6-one.
Chemical Property Profile of 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one
Property Insights of 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one. With a topological polar surface area (TPSA) of 46.1 Ų, 4-Chloro-11-methyl-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-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one has 0 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-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one?
The CAS number of 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one is 64261-87-6.
What is the molecular formula of 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one?
The molecular formula of 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one is C13H10ClN3O.
What is the molecular weight of 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one?
The molecular weight of 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one is 259.05 g/mol.
Where can I buy 4-Chloro-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one?
You can request a quote for 4-Chloro-11-methyl-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-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-11-methyl-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.