![4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate structure](/static/products/291/29179-41-7.png)
4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate
TL;DR: 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate (CAS 29179-41-7) is a chemical compound with molecular formula C13H9O2S- and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
Also Known As: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate, 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate, Naphtho[1,2-b]thiophene-2-carboxylicacid, 4,5-dihydro-
| Molecular Formula | C13H9O2S- |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 1.8772 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.03232 |
| Heavy Atoms | 16 |
| Complexity | 569.0616 |
Chemical Identifiers
| CAS Number | 29179-41-7 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)[O-] |
Product Overview
4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate (CAS 29179-41-7), with molecular formula C13H9O2S- and molecular weight 229.03 g/mol. IUPAC: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate.
Chemical Property Profile of 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate
Property Insights of 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate
The XLogP value of 1.8772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 40.13 Ų, 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The CAS number of 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate is 29179-41-7.
What is the molecular formula of 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The molecular formula of 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate is C13H9O2S-.
What is the molecular weight of 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The molecular weight of 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate is 229.03 g/mol.
Where can I buy 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate?
You can request a quote for 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.