![chloro-methyl-phenyl-[?]dione structure](/static/products/6216/62167-11-7.webp)
chloro-methyl-phenyl-[?]dione
TL;DR: chloro-methyl-phenyl-[?]dione (CAS 62167-11-7) is a chemical compound with molecular formula C18H12ClN3O3 and molecular weight 353.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-2-methyl-12-phenyl-15-oxa-2,5,13-triazatetracyclo[10.2.1.01,5.06,11]pentadeca-6(11),7,9,13-tetraene-3,4-dione
Also Known As: chloro-methyl-phenyl-[?]dione, NCI60_002477, 6H-3a,6-Epoxy-1H-imidazo(1,2-a)(1,4)benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-, 8-chloro-3-methyl-6-phenyl-6H-3a,6-epioxido-benzo[f]imidazo[, 8-Chloro-3a, 6-epoxy-1,2,3a, 6-tetrahydro-3-methyl-6-phenyl-3H-imidazo(1,2-a)(1,4)benzodiazepine-1,2-dione
| Molecular Formula | C18H12ClN3O3 |
|---|---|
| Molecular Weight | 353.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.05673 |
| Heavy Atoms | 25 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 62167-11-7 |
|---|---|
| SMILES | CN1C(=O)C(=O)N2C13C=NC(O3)(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5 |
| InChIKey | ARVGAFIPEMEJTK-UHFFFAOYSA-N |
Product Overview
chloro-methyl-phenyl-[?]dione (CAS 62167-11-7), with molecular formula C18H12ClN3O3 and molecular weight 353.06 g/mol. IUPAC: 9-chloro-2-methyl-12-phenyl-15-oxa-2,5,13-triazatetracyclo[10.2.1.01,5.06,11]pentadeca-6(11),7,9,13-tetraene-3,4-dione.
Chemical Property Profile of chloro-methyl-phenyl-[?]dione
Property Insights of chloro-methyl-phenyl-[?]dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for chloro-methyl-phenyl-[?]dione. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for chloro-methyl-phenyl-[?]dione. Following Lipinski's Rule of Five, chloro-methyl-phenyl-[?]dione has 0 hydrogen bond donor(s) and 4 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 chloro-methyl-phenyl-[?]dione?
The CAS number of chloro-methyl-phenyl-[?]dione is 62167-11-7.
What is the molecular formula of chloro-methyl-phenyl-[?]dione?
The molecular formula of chloro-methyl-phenyl-[?]dione is C18H12ClN3O3.
What is the molecular weight of chloro-methyl-phenyl-[?]dione?
The molecular weight of chloro-methyl-phenyl-[?]dione is 353.06 g/mol.
Where can I buy chloro-methyl-phenyl-[?]dione?
You can request a quote for chloro-methyl-phenyl-[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chloro-methyl-phenyl-[?]dione?
Yes, KEHONG BIO provides custom synthesis services for chloro-methyl-phenyl-[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.