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Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
TL;DR: Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate (CAS 320423-96-9) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
Also Known As: methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate, methyl 4H,5H-naphtho[1,2-b]thiophene-2-carboxylate, methyldihydronaphthobthiophenecarboxylate, methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate, methyl 4,5-dihydronaphtho[1,2-b]thiophene-2- carboxylate
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 3.3003 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 583.6582 |
Chemical Identifiers
| CAS Number | 320423-96-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(S1)C3=CC=CC=C3CC2 |
Product Overview
Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate (CAS 320423-96-9), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate.
Chemical Property Profile of Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
Property Insights of Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
The XLogP value of 3.3003 indicates that Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 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, Methyl 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 Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The CAS number of Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate is 320423-96-9.
What is the molecular formula of Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The molecular formula of Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate is C14H12O2S.
What is the molecular weight of Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The molecular weight of Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate is 244.06 g/mol.
Where can I buy Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
You can request a quote for Methyl 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 Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.