RefChem:1057709
TL;DR: RefChem:1057709 (CAS 63931-86-2) is a chemical compound with molecular formula C14H17ClN4O2 and molecular weight 308.104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-N,N-diethyl-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxamide
Also Known As: 5-26-07-00292 (Beilstein Handbook Reference), 1H-1,2,4-Benzotriazepine-3-carboxamide, 4,5-dihydro-7-chloro-N,N-diethyl-4-methyl-5-oxo-, 4,5-Dihydro-7-chloro-N,N-diethyl-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxamide, 7-chloro-N,N-diethyl-4-methyl-5-oxo-1H-1,2,4-benzotriazepine, 7-chloro-N,N-diethyl-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxamide
Technical Specifications
| Molecular Formula | C14H17ClN4O2 |
| Molecular Weight | 308.104 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.104 Da |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| SMILES | CCN(CC)C(=O)C1=NNC2=C(C=C(C=C2)Cl)C(=O)N1C |
| InChIKey | SAGGICLQTYHZMX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1057709
Property Insights of RefChem:1057709
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057709. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057709. Following Lipinski's Rule of Five, RefChem:1057709 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1057709?
The CAS number of RefChem:1057709 is 63931-86-2.
What is the molecular formula of RefChem:1057709?
The molecular formula of RefChem:1057709 is C14H17ClN4O2.
What is the molecular weight of RefChem:1057709?
The molecular weight of RefChem:1057709 is 308.104 g/mol.
Where can I buy RefChem:1057709?
You can request a quote for RefChem:1057709 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1057709?
Yes, CoreyChem provides custom synthesis services for RefChem:1057709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.