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Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
TL;DR: Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate (CAS 691393-99-4) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
Also Known As: methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate, 0664AC, D-fructose1,6-bis(dihydrogenphosphate), 3-AMINO-4,5-DIHYDRONAPHTHO[1,2-B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, 4CA-0058
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 2.8825 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 630.71936 |
Chemical Identifiers
| CAS Number | 691393-99-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C3=CC=CC=C3CC2)N |
Product Overview
Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate (CAS 691393-99-4), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: methyl 3-amino-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
Property Insights of Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
The XLogP value of 2.8825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-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 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate is 691393-99-4.
What is the molecular formula of Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate is C14H13NO2S.
What is the molecular weight of Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate is 259.07 g/mol.
Where can I buy Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-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 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.