AE-848/12123168
TL;DR: AE-848/12123168 (CAS 312940-48-0) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
Also Known As: AE-848/12123168, 2-[(3-phenylpropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-(3-phenylpropanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-(3-phenylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid, 3-(3-phenylpropanoylamino)-4-thiabicyclo[3.3.0]octa-2,9-diene-2-carboxylic Acid
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 312940-48-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)CCC3=CC=CC=C3 |
| InChIKey | ONJIWHSZSJRAHC-UHFFFAOYSA-N |
Product Overview
AE-848/12123168 (CAS 312940-48-0), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: 2-(3-phenylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.
Chemical Property Profile of AE-848/12123168
Property Insights of AE-848/12123168
The XLogP value of 3.8 indicates that AE-848/12123168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/12123168. Following Lipinski's Rule of Five, AE-848/12123168 has 2 hydrogen bond donor(s) and 4 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-848/12123168?
The CAS number of AE-848/12123168 is 312940-48-0.
What is the molecular formula of AE-848/12123168?
The molecular formula of AE-848/12123168 is C17H17NO3S.
What is the molecular weight of AE-848/12123168?
The molecular weight of AE-848/12123168 is 315.09 g/mol.
Where can I buy AE-848/12123168?
You can request a quote for AE-848/12123168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/12123168?
Yes, KEHONG BIO provides custom synthesis services for AE-848/12123168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.