AE-641/14575005
TL;DR: AE-641/14575005 (CAS 307507-63-7) is a chemical compound with molecular formula C27H33NO7S and molecular weight 515.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AE-641/14575005, dimethyl 2-({(2E)-3-[4-(hexyloxy)-3-methoxyphenyl]prop-2-enoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, (E)-dimethyl 2-(3-(4-(hexyloxy)-3-methoxyphenyl)acrylamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-({3-[4-(hexyloxy)-3-methoxyphenyl]acryloyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C27H33NO7S |
|---|---|
| Molecular Weight | 515.20 g/mol |
| LogP | 5.3571 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 515.19775 |
| Heavy Atoms | 36 |
| Complexity | 1121.5657 |
Chemical Identifiers
| CAS Number | 307507-63-7 |
|---|---|
| SMILES | CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)OC |
Product Overview
AE-641/14575005 (CAS 307507-63-7), with molecular formula C27H33NO7S and molecular weight 515.20 g/mol. IUPAC: dimethyl 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AE-641/14575005
Property Insights of AE-641/14575005
The XLogP value of 5.3571 indicates that AE-641/14575005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/14575005. Following Lipinski's Rule of Five, AE-641/14575005 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/14575005?
The CAS number of AE-641/14575005 is 307507-63-7.
What is the molecular formula of AE-641/14575005?
The molecular formula of AE-641/14575005 is C27H33NO7S.
What is the molecular weight of AE-641/14575005?
The molecular weight of AE-641/14575005 is 515.20 g/mol.
Where can I buy AE-641/14575005?
You can request a quote for AE-641/14575005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14575005?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14575005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.