ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352553-46-9) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (7Z)-2-amino-7-hydroxyimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AB00074202-01, ethyl (7Z)-2-amino-7-hydroxyimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate, ethyl (7Z)-2-amino-7-hydroxyimino-5,6-dihydro-4H-benzothiophene-3-carboxylate
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 2.0216 |
| Topological Polar Surface Area | 84.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 479.30624 |
Chemical Identifiers
| CAS Number | 352553-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC\2=C1CCC/C2=N/O)N |
Product Overview
ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352553-46-9), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: ethyl (7Z)-2-amino-7-hydroxyimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 2.0216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 84.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 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 (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 352553-46-9.
What is the molecular formula of ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C11H14N2O3S.
What is the molecular weight of ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 254.07 g/mol.
Where can I buy ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (7Z)-2-amino-7-(hydroxyimino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.