Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate
TL;DR: Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate (CAS 31318-54-4) is a chemical compound with molecular formula C20H16O4S and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl acenaphthyleno[1,2-c]thiophene-7,9-dicarboxylate
Also Known As: Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate, diethyl acenaphthyleno[1,2-c]thiophene-7,9-dicarboxylate, Diethyl acenaphtho[1,2-c]thiophene-7,9-dicarboxylate, Acenaphtho[1,2-c]thiophene-7,9-dicarboxylicacid, 7,9-diethyl ester, RefChem:133397
| Molecular Formula | C20H16O4S |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.07693 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 31318-54-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC4=C3C(=CC=C4)C2=C(S1)C(=O)OCC |
| InChIKey | ZCUIMEOLJZSNRT-UHFFFAOYSA-N |
Product Overview
Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate (CAS 31318-54-4), with molecular formula C20H16O4S and molecular weight 352.08 g/mol. IUPAC: diethyl acenaphthyleno[1,2-c]thiophene-7,9-dicarboxylate.
Chemical Property Profile of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate
Property Insights of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate
The XLogP value of 5.3 indicates that Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate. Following Lipinski's Rule of Five, Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate?
The CAS number of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate is 31318-54-4.
What is the molecular formula of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate?
The molecular formula of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate is C20H16O4S.
What is the molecular weight of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate?
The molecular weight of Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate is 352.08 g/mol.
Where can I buy Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate?
You can request a quote for Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acenaphtho(1,2-c)thiophene-7,9-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.