AE-848/12530130
TL;DR: AE-848/12530130 (CAS 380644-27-9) 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-hydroxy-5-methylphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-848/12530130, ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(2-hydroxy-5-methylbenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-((2-hydroxy-5-methylbenzyl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.03962 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 736.1082 |
Chemical Identifiers
| CAS Number | 380644-27-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NCC3=C(C=CC(=C3)C)O |
Product Overview
AE-848/12530130 (CAS 380644-27-9), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-848/12530130
Property Insights of AE-848/12530130
The XLogP value of 4.03962 indicates that AE-848/12530130 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-848/12530130 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/12530130 has 2 hydrogen bond donor(s) and 5 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 AE-848/12530130?
The CAS number of AE-848/12530130 is 380644-27-9.
What is the molecular formula of AE-848/12530130?
The molecular formula of AE-848/12530130 is C18H21NO3S.
What is the molecular weight of AE-848/12530130?
The molecular weight of AE-848/12530130 is 331.12 g/mol.
Where can I buy AE-848/12530130?
You can request a quote for AE-848/12530130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/12530130?
Yes, KEHONG BIO provides custom synthesis services for AE-848/12530130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.