A2894/0121872
TL;DR: A2894/0121872 (CAS 487039-40-7) is a chemical compound with molecular formula C26H29NO5S3 and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5',5',9'-trimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate
Also Known As: A2894/0121872, 2',4-DIETHYL 5',5',9'-TRIMETHYL-6'-PROPANOYL-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-2',4-DICARBOXYLATE, diethyl 5',5',9'-trimethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate, diethyl 5',5',9'-trimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate, diethyl 5',5',9'-trimethyl-6'-propionyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate
| Molecular Formula | C26H29NO5S3 |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 6.01592 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.1208 |
| Heavy Atoms | 35 |
| Complexity | 1199.3677 |
Chemical Identifiers
| CAS Number | 487039-40-7 |
|---|---|
| SMILES | CCC(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SC=C(C34SC=C(S4)C(=O)OCC)C(=O)OCC |
Product Overview
A2894/0121872 (CAS 487039-40-7), with molecular formula C26H29NO5S3 and molecular weight 531.12 g/mol. IUPAC: diethyl 5',5',9'-trimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',4-dicarboxylate.
Chemical Property Profile of A2894/0121872
Property Insights of A2894/0121872
The XLogP value of 6.01592 indicates that A2894/0121872 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 A2894/0121872. Following Lipinski's Rule of Five, A2894/0121872 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 A2894/0121872?
The CAS number of A2894/0121872 is 487039-40-7.
What is the molecular formula of A2894/0121872?
The molecular formula of A2894/0121872 is C26H29NO5S3.
What is the molecular weight of A2894/0121872?
The molecular weight of A2894/0121872 is 531.12 g/mol.
Where can I buy A2894/0121872?
You can request a quote for A2894/0121872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2894/0121872?
Yes, KEHONG BIO provides custom synthesis services for A2894/0121872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.