AE-848/12530141
TL;DR: AE-848/12530141 (CAS 380644-34-8) is a chemical compound with molecular formula C18H19Cl2NO3S and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AE-848/12530141, ethyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(3,5-dichloro-2-hydroxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-((3,5-dichloro-2-hydroxybenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H19Cl2NO3S |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 5.4281 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.04626 |
| Heavy Atoms | 25 |
| Complexity | 804.10425 |
Chemical Identifiers
| CAS Number | 380644-34-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=C(C(=CC(=C3)Cl)Cl)O |
Product Overview
AE-848/12530141 (CAS 380644-34-8), with molecular formula C18H19Cl2NO3S and molecular weight 399.05 g/mol. IUPAC: ethyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AE-848/12530141
Property Insights of AE-848/12530141
The XLogP value of 5.4281 indicates that AE-848/12530141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, AE-848/12530141 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/12530141 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-848/12530141?
The CAS number of AE-848/12530141 is 380644-34-8.
What is the molecular formula of AE-848/12530141?
The molecular formula of AE-848/12530141 is C18H19Cl2NO3S.
What is the molecular weight of AE-848/12530141?
The molecular weight of AE-848/12530141 is 399.05 g/mol.
Where can I buy AE-848/12530141?
You can request a quote for AE-848/12530141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/12530141?
Yes, KEHONG BIO provides custom synthesis services for AE-848/12530141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.