AE-641/12845076
TL;DR: AE-641/12845076 (CAS 302550-11-4) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-641/12845076, ethyl 2-{[(2-methoxyphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-(2-methoxyphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-(2-methoxyphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 3.4396 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 814.256 |
Chemical Identifiers
| CAS Number | 302550-11-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=CC=CC=C3OC |
Product Overview
AE-641/12845076 (CAS 302550-11-4), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: ethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-641/12845076
Property Insights of AE-641/12845076
The XLogP value of 3.4396 indicates that AE-641/12845076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/12845076. Following Lipinski's Rule of Five, AE-641/12845076 has 1 hydrogen bond donor(s) and 6 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-641/12845076?
The CAS number of AE-641/12845076 is 302550-11-4.
What is the molecular formula of AE-641/12845076?
The molecular formula of AE-641/12845076 is C19H21NO5S.
What is the molecular weight of AE-641/12845076?
The molecular weight of AE-641/12845076 is 375.11 g/mol.
Where can I buy AE-641/12845076?
You can request a quote for AE-641/12845076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12845076?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12845076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.