AE-641/14413049
TL;DR: AE-641/14413049 (CAS 1164548-85-9) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-641/14413049, methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[3-(furan-2-yl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[3-(2-furyl)acryloyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, 2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 1164548-85-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)/C=C/C3=CC=CO3 |
| InChIKey | MLYPZMWBDCJUNR-BQYQJAHWSA-N |
Product Overview
AE-641/14413049 (CAS 1164548-85-9), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-641/14413049
Property Insights of AE-641/14413049
The XLogP value of 3.4 indicates that AE-641/14413049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/14413049. Following Lipinski's Rule of Five, AE-641/14413049 has 1 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-641/14413049?
The CAS number of AE-641/14413049 is 1164548-85-9.
What is the molecular formula of AE-641/14413049?
The molecular formula of AE-641/14413049 is C16H15NO4S.
What is the molecular weight of AE-641/14413049?
The molecular weight of AE-641/14413049 is 317.07 g/mol.
Where can I buy AE-641/14413049?
You can request a quote for AE-641/14413049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14413049?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14413049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.