![chloro(diethyl)[?]dione structure](/static/products/5991/59910-30-4.webp)
chloro(diethyl)[?]dione
TL;DR: chloro(diethyl)[?]dione (CAS 59910-30-4) is a chemical compound with molecular formula C22H19ClN2O3 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-chloro-12,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Also Known As: chloro(diethyl)[?]dione, NCI60_001994, 11-Chloro-4,12-diethyl-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 2-Benzyl-2,3,4,5-tetrahydro-1,2,4-triazin-3,5-dion, 11-Chloro-4,12-diethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
| Molecular Formula | C22H19ClN2O3 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.10843 |
| Heavy Atoms | 28 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 59910-30-4 |
|---|---|
| SMILES | CCC1C2=C(COC1=O)C(=O)N3C(C4=C(C5=CC=CC=C5N=C4C3=C2)Cl)CC |
| InChIKey | DMEFYKZHPYTSLZ-UHFFFAOYSA-N |
Product Overview
chloro(diethyl)[?]dione (CAS 59910-30-4), with molecular formula C22H19ClN2O3 and molecular weight 394.11 g/mol. IUPAC: 10-chloro-12,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.
Chemical Property Profile of chloro(diethyl)[?]dione
Property Insights of chloro(diethyl)[?]dione
The XLogP value of 3.3 indicates that chloro(diethyl)[?]dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, chloro(diethyl)[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, chloro(diethyl)[?]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(diethyl)[?]dione?
The CAS number of chloro(diethyl)[?]dione is 59910-30-4.
What is the molecular formula of chloro(diethyl)[?]dione?
The molecular formula of chloro(diethyl)[?]dione is C22H19ClN2O3.
What is the molecular weight of chloro(diethyl)[?]dione?
The molecular weight of chloro(diethyl)[?]dione is 394.11 g/mol.
Where can I buy chloro(diethyl)[?]dione?
You can request a quote for chloro(diethyl)[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chloro(diethyl)[?]dione?
Yes, KEHONG BIO provides custom synthesis services for chloro(diethyl)[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.