A3733/0158244
TL;DR: A3733/0158244 (CAS 724778-87-4) is a chemical compound with molecular formula C25H27NO5S3 and molecular weight 517.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6'-acetyl-5',5',9'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
Also Known As: A3733/0158244, diethyl 6'-acetyl-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate, 3',5-DIETHYL 6'-ACETYL-5',5',9'-TRIMETHYL-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-3',5-DICARBOXYLATE, diethyl 6'-acetyl-5',5',9'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate, diethyl 6'-acetyl-5',5',9'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
| Molecular Formula | C25H27NO5S3 |
|---|---|
| Molecular Weight | 517.11 g/mol |
| LogP | 5.62582 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.10516 |
| Heavy Atoms | 34 |
| Complexity | 1182.9912 |
Chemical Identifiers
| CAS Number | 724778-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC2(C3=C(S1)C(N(C4=C3C=C(C=C4)C)C(=O)C)(C)C)SC=C(S2)C(=O)OCC |
Product Overview
A3733/0158244 (CAS 724778-87-4), with molecular formula C25H27NO5S3 and molecular weight 517.11 g/mol. IUPAC: diethyl 6'-acetyl-5',5',9'-trimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate.
Chemical Property Profile of A3733/0158244
Property Insights of A3733/0158244
The XLogP value of 5.62582 indicates that A3733/0158244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A3733/0158244. Following Lipinski's Rule of Five, A3733/0158244 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3733/0158244?
The CAS number of A3733/0158244 is 724778-87-4.
What is the molecular formula of A3733/0158244?
The molecular formula of A3733/0158244 is C25H27NO5S3.
What is the molecular weight of A3733/0158244?
The molecular weight of A3733/0158244 is 517.11 g/mol.
Where can I buy A3733/0158244?
You can request a quote for A3733/0158244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3733/0158244?
Yes, KEHONG BIO provides custom synthesis services for A3733/0158244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.