![chloro-methyl-phenyl-[?]trione structure](/static/products/7305/73059-24-2.webp)
chloro-methyl-phenyl-[?]trione
TL;DR: chloro-methyl-phenyl-[?]trione (CAS 73059-24-2) is a chemical compound with molecular formula C16H13ClN2O3 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-11-methyl-4-phenyl-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione
Also Known As: chloro-methyl-phenyl-[?]trione, 4,8-Iminocyclohepta(c)pyrrole-1,3,5(2H)-trione, 4-chloro-3a,4,8,8a-tetrahydro-9-methyl-2-phenyl-, 4,8-Iminocyclohepta[c]pyrrole-1,3,5(2H)-trione, 4-chloro-3a,4,8,8a-tetrahydro-9-methyl-2-phenyl-
| Molecular Formula | C16H13ClN2O3 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.06146 |
| Heavy Atoms | 22 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 73059-24-2 |
|---|---|
| SMILES | CN1C2C=CC(=O)C1(C3C2C(=O)N(C3=O)C4=CC=CC=C4)Cl |
| InChIKey | SJIAXSNKDJTHJJ-UHFFFAOYSA-N |
Product Overview
chloro-methyl-phenyl-[?]trione (CAS 73059-24-2), with molecular formula C16H13ClN2O3 and molecular weight 316.06 g/mol. IUPAC: 7-chloro-11-methyl-4-phenyl-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione.
Chemical Property Profile of chloro-methyl-phenyl-[?]trione
Property Insights of chloro-methyl-phenyl-[?]trione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for chloro-methyl-phenyl-[?]trione. With a topological polar surface area (TPSA) of 57.7 Ų, chloro-methyl-phenyl-[?]trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, chloro-methyl-phenyl-[?]trione 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-[?]trione?
The CAS number of chloro-methyl-phenyl-[?]trione is 73059-24-2.
What is the molecular formula of chloro-methyl-phenyl-[?]trione?
The molecular formula of chloro-methyl-phenyl-[?]trione is C16H13ClN2O3.
What is the molecular weight of chloro-methyl-phenyl-[?]trione?
The molecular weight of chloro-methyl-phenyl-[?]trione is 316.06 g/mol.
Where can I buy chloro-methyl-phenyl-[?]trione?
You can request a quote for chloro-methyl-phenyl-[?]trione 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-[?]trione?
Yes, KEHONG BIO provides custom synthesis services for chloro-methyl-phenyl-[?]trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.