ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
TL;DR: ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CAS 730252-46-7) is a chemical compound with molecular formula C25H33N3O5S2 and molecular weight 519.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(cycloheptylamino)acetyl]carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Also Known As: ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate, ethyl 2-[[2-(cycloheptylamino)acetyl]carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate, ethyl 2-{[(N-cycloheptylglycyl)carbamothioyl]amino}-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C25H33N3O5S2 |
|---|---|
| Molecular Weight | 519.19 g/mol |
| LogP | 4.7344 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.18616 |
| Heavy Atoms | 35 |
| Complexity | 1032.1047 |
Chemical Identifiers
| CAS Number | 730252-46-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC(=O)CNC3CCCCCC3 |
Product Overview
ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CAS 730252-46-7), with molecular formula C25H33N3O5S2 and molecular weight 519.19 g/mol. IUPAC: ethyl 2-[[2-(cycloheptylamino)acetyl]carbamothioylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Property Insights of ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
The XLogP value of 4.7344 indicates that ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate has 3 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 ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The CAS number of ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is 730252-46-7.
What is the molecular formula of ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is C25H33N3O5S2.
What is the molecular weight of ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is 519.19 g/mol.
Where can I buy ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(2-(cycloheptylamino)acetyl)thioureido)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.