AE-848/36959023
TL;DR: AE-848/36959023 (CAS 330559-15-4) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AE-848/36959023, ethyl 2-[(2-hydroxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-((2-hydroxybenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{[(2-HYDROXYPHENYL)METHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 330559-15-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=CC=CC=C3O |
| InChIKey | QOKWXMPQPRXQGM-UHFFFAOYSA-N |
Product Overview
AE-848/36959023 (CAS 330559-15-4), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: ethyl 2-[(2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AE-848/36959023
Property Insights of AE-848/36959023
The XLogP value of 5.1 indicates that AE-848/36959023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/36959023. Following Lipinski's Rule of Five, AE-848/36959023 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/36959023?
The CAS number of AE-848/36959023 is 330559-15-4.
What is the molecular formula of AE-848/36959023?
The molecular formula of AE-848/36959023 is C18H21NO3S.
What is the molecular weight of AE-848/36959023?
The molecular weight of AE-848/36959023 is 331.12 g/mol.
Where can I buy AE-848/36959023?
You can request a quote for AE-848/36959023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/36959023?
Yes, KEHONG BIO provides custom synthesis services for AE-848/36959023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.