![2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid structure](/static/products/7945/79458-93-8.webp)
2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid
TL;DR: 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid (CAS 79458-93-8) is a chemical compound with molecular formula C15H18N2O7 and molecular weight 338.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioic acid
Also Known As: Z-ALA-ASP-OH, 2-(2-phenylmethoxycarbonylaminopropanoylamino)butanedioic Acid, 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioic acid, (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanedioic acid
| Molecular Formula | C15H18N2O7 |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.1114 |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 79458-93-8 |
|---|---|
| SMILES | CC(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | ZEMLEJZWLPVYOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid (CAS 79458-93-8), with molecular formula C15H18N2O7 and molecular weight 338.11 g/mol. IUPAC: 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioic acid.
Chemical Property Profile of 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid
Property Insights of 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid. The TPSA of 142.0 Ų indicates high polarity, suggesting 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid has 4 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 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid?
The CAS number of 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid is 79458-93-8.
What is the molecular formula of 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid?
The molecular formula of 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid is C15H18N2O7.
What is the molecular weight of 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid?
The molecular weight of 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid is 338.11 g/mol.
Where can I buy 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid?
You can request a quote for 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Phenylmethoxycarbonylamino)propanoylamino]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.