AE-641/12753513
TL;DR: AE-641/12753513 (CAS 292056-79-2) is a chemical compound with molecular formula C25H31NO5S and molecular weight 457.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-641/12753513, ethyl 2-({(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, (E)-ethyl 2-(3-(3-methoxy-4-(pentyloxy)phenyl)acrylamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-({(2E)-3-[3-METHOXY-4-(PENTYLOXY)PHENYL]-2-PROPENOYL}AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-({3-[3-methoxy-4-(pentyloxy)phenyl]acryloyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C25H31NO5S |
|---|---|
| Molecular Weight | 457.19 g/mol |
| LogP | 5.643 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 457.1923 |
| Heavy Atoms | 32 |
| Complexity | 978.95215 |
Chemical Identifiers
| CAS Number | 292056-79-2 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)OC |
Product Overview
AE-641/12753513 (CAS 292056-79-2), with molecular formula C25H31NO5S and molecular weight 457.19 g/mol. IUPAC: ethyl 2-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-641/12753513
Property Insights of AE-641/12753513
The XLogP value of 5.643 indicates that AE-641/12753513 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-641/12753513. Following Lipinski's Rule of Five, AE-641/12753513 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/12753513?
The CAS number of AE-641/12753513 is 292056-79-2.
What is the molecular formula of AE-641/12753513?
The molecular formula of AE-641/12753513 is C25H31NO5S.
What is the molecular weight of AE-641/12753513?
The molecular weight of AE-641/12753513 is 457.19 g/mol.
Where can I buy AE-641/12753513?
You can request a quote for AE-641/12753513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12753513?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12753513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.