![4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate structure](/static/products/7728/77285-07-5.webp)
4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate
TL;DR: 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate (CAS 77285-07-5) is a chemical compound with molecular formula C20H29NO8 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Also Known As: 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate, (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid, (2S)-4-tert-Butoxy-2-[({[2-(3,5-dimethoxyphenyl)propan-2-yl]oxy}carbonyl)amino]-4-oxobutanoic acid
| Molecular Formula | C20H29NO8 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 2.8501 |
| Topological Polar Surface Area | 120.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.18933 |
| Heavy Atoms | 29 |
| Complexity | 729.0884 |
Chemical Identifiers
| CAS Number | 77285-07-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C1=CC(=CC(=C1)OC)OC |
Product Overview
4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate (CAS 77285-07-5), with molecular formula C20H29NO8 and molecular weight 411.19 g/mol. IUPAC: (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
Chemical Property Profile of 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate
Property Insights of 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate
The XLogP value of 2.8501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate. The TPSA of 120.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate has 2 hydrogen bond donor(s) and 7 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 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate?
The CAS number of 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate is 77285-07-5.
What is the molecular formula of 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate?
The molecular formula of 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate is C20H29NO8.
What is the molecular weight of 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate?
The molecular weight of 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate is 411.19 g/mol.
Where can I buy 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate?
You can request a quote for 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl) hydrogen N-[[1-(3,5-dimethoxyphenyl)-1-methylethoxy]carbonyl]-L-aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.