![Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate structure](/static/products/4025/4025-16-5.webp)
Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate
TL;DR: Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate (CAS 4025-16-5) is a chemical compound with molecular formula C26H31N3O4S and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenyl-2-[[8-(3-thiophen-3-ylprop-2-enoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]propanoate
Also Known As: Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate, 1,3,5-Triisopentyl-1,3,5-triazin-2,4,6-trion,1,2,3-Triisopentyl-isocyanursaeure, methyl 3-phenyl-2-[[8-(3-thiophen-3-ylprop-2-enoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]propanoate, methyl 3-phenyl-2-[[8-(3-thiophen-3-ylprop-2-enoyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]amino]propanoate, METHYL 3-PHENYL-2-[[8-(3-THIOPHEN-3-YLPROP-2-ENOYL)2,8-DIAZASPIRO[4.5]DECANE-2-CARBONYL]AMINO]PROPANOATE
| Molecular Formula | C26H31N3O4S |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 3.5697 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.20352 |
| Heavy Atoms | 34 |
| Complexity | 1013.9314 |
Chemical Identifiers
| CAS Number | 4025-16-5 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C=CC4=CSC=C4 |
Product Overview
Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate (CAS 4025-16-5), with molecular formula C26H31N3O4S and molecular weight 481.20 g/mol. IUPAC: methyl 3-phenyl-2-[[8-(3-thiophen-3-ylprop-2-enoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]propanoate.
Chemical Property Profile of Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate
Property Insights of Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate
The XLogP value of 3.5697 indicates that Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate. Following Lipinski's Rule of Five, Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate has 1 hydrogen bond donor(s) and 5 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 Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate?
The CAS number of Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate is 4025-16-5.
What is the molecular formula of Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate?
The molecular formula of Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate is C26H31N3O4S.
What is the molecular weight of Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate?
The molecular weight of Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate is 481.20 g/mol.
Where can I buy Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate?
You can request a quote for Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-{8-[3-(thiophen-3-yl)acryloyl]-2,8-diazaspiro[4.5]decane-2-carbonyl}phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.