![4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid structure](/static/products/4730/47307-26-6.webp)
4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
TL;DR: 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (CAS 47307-26-6) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: Z-Asp-OtBu, N-Cbz-L-aspartic acid tert-butyl ester, (S)-3-(((Benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid, 3-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxo-butanoic acid, 4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 47307-26-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CC(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | DCRXXPBUFHOMPN-UHFFFAOYSA-N |
Product Overview
4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (CAS 47307-26-6), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: 4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Property Insights of 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid. Following Lipinski's Rule of Five, 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid has 2 hydrogen bond donor(s) and 6 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-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
The CAS number of 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid is 47307-26-6.
What is the molecular formula of 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
The molecular formula of 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid is C16H21NO6.
What is the molecular weight of 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
The molecular weight of 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid is 323.14 g/mol.
Where can I buy 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
You can request a quote for 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.