![Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate structure](/static/products/5886/588678-11-9.webp)
Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate
TL;DR: Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate (CAS 588678-11-9) is a chemical compound with molecular formula C23H25NO3S and molecular weight 395.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-phenylprop-2-ynoylamino)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
Also Known As: Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate, ethyl 2-(3-phenylprop-2-ynoylamino)-4,5,6,7,8,9,10-heptahydrocyclonona[2,1-b]t hiophene-3-carboxylate, ethyl 2-(3-phenylprop-2-ynoylamino)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate, ethyl 2-(3-phenylpropiolamido)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate, ethyl 2-[(3-phenylprop-2-ynoyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
| Molecular Formula | C23H25NO3S |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 4.9641 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.15552 |
| Heavy Atoms | 28 |
| Complexity | 889.80664 |
Chemical Identifiers
| CAS Number | 588678-11-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)C#CC3=CC=CC=C3 |
Product Overview
Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate (CAS 588678-11-9), with molecular formula C23H25NO3S and molecular weight 395.16 g/mol. IUPAC: ethyl 2-(3-phenylprop-2-ynoylamino)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate
Property Insights of Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate
The XLogP value of 4.9641 indicates that Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate?
The CAS number of Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate is 588678-11-9.
What is the molecular formula of Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate?
The molecular formula of Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate is C23H25NO3S.
What is the molecular weight of Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate?
The molecular weight of Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate is 395.16 g/mol.
Where can I buy Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate?
You can request a quote for Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 11-(3-phenylprop-2-ynoylamino)-10-thiabicyclo[7.3.0]dodeca-11,13-diene-12-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.