ChemDiv1_016476
TL;DR: ChemDiv1_016476 (CAS 6767-77-7) is a chemical compound with molecular formula C26H27N3O6S and molecular weight 509.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-N-phenyl-N-prop-2-enyl-1H-quinoline-6-sulfonamide
Also Known As: ChemDiv1_016476, HYDRAZINE,2-(4,4'-DIMETHYLBENZILOYL)-1-(P-NITROBENZOYL)-1-PHENYL-(7CI,8CI), 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-N-phenyl-N-prop-2-enyl-1H-quinoline-6-sulfonamide, 3-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-N-phenyl-N-(prop-2-en-1-yl)-1,4-dihydroquinoline-6-sulfonamide, 3-{1,4-DIOXA-8-AZASPIRO[4.5]DECANE-8-CARBONYL}-4-OXO-N-PHENYL-N-(PROP-2-EN-1-YL)-1,4-DIHYDROQUINOLINE-6-SULFONAMIDE
| Molecular Formula | C26H27N3O6S |
|---|---|
| Molecular Weight | 509.16 g/mol |
| LogP | 2.8885 |
| Topological Polar Surface Area | 109.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.16205 |
| Heavy Atoms | 36 |
| Complexity | 1452.0278 |
Chemical Identifiers
| CAS Number | 6767-77-7 |
|---|---|
| SMILES | C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5(CC4)OCCO5 |
Product Overview
ChemDiv1_016476 (CAS 6767-77-7), with molecular formula C26H27N3O6S and molecular weight 509.16 g/mol. IUPAC: 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-N-phenyl-N-prop-2-enyl-1H-quinoline-6-sulfonamide.
Chemical Property Profile of ChemDiv1_016476
Property Insights of ChemDiv1_016476
The XLogP value of 2.8885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_016476. The TPSA of 109.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016476. Following Lipinski's Rule of Five, ChemDiv1_016476 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_016476?
The CAS number of ChemDiv1_016476 is 6767-77-7.
What is the molecular formula of ChemDiv1_016476?
The molecular formula of ChemDiv1_016476 is C26H27N3O6S.
What is the molecular weight of ChemDiv1_016476?
The molecular weight of ChemDiv1_016476 is 509.16 g/mol.
Where can I buy ChemDiv1_016476?
You can request a quote for ChemDiv1_016476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016476?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.