Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate
TL;DR: Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate (CAS 877140-10-8) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-(1,3-benzodioxol-5-yl)thiophene-2-carboxylate
Also Known As: ethyl 3-amino-5-(2H-1,3-benzodioxol-5-yl)thiophene-2-carboxylate, ethyl 3-amino-5-(1,3-benzodioxol-5-yl)thiophene-2-carboxylate, Ethyl 3-amino-5-(1,3-dioxaindan-5-yl)thiophene-2-carboxylate, Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate, ethyl3-amino-5-(2H-1,3-benzodioxol-5-yl)thiophene-2-carboxylate
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.9027 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 665.18866 |
Chemical Identifiers
| CAS Number | 877140-10-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)C2=CC3=C(C=C2)OCO3)N |
Product Overview
Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate (CAS 877140-10-8), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: ethyl 3-amino-5-(1,3-benzodioxol-5-yl)thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate
Property Insights of Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate
The XLogP value of 2.9027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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 Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate?
The CAS number of Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate is 877140-10-8.
What is the molecular formula of Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate?
The molecular formula of Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate is C14H13NO4S.
What is the molecular weight of Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate?
The molecular weight of Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate is 291.06 g/mol.
Where can I buy Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate?
You can request a quote for Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.