(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid
TL;DR: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid (CAS 955972-23-3) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid
Also Known As: ((Benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)-L-phenylalanine, (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid, (2S)-2-({[(2H-1,3-Benzodioxol-5-yl)methyl]carbamoyl}amino)-3-phenylpropanoic acid, (S)-2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)-3-phenylpropanoic acid, 2-(benzo[1,3]dioxol-5-ylmethylcarbamoylamino)-3-phenyl-propanoic Acid
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.9104 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 763.31665 |
Chemical Identifiers
| CAS Number | 955972-23-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O |
Product Overview
(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid (CAS 955972-23-3), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid.
Chemical Property Profile of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid
Property Insights of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid
The XLogP value of 1.9104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid has 3 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 (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid?
The CAS number of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid is 955972-23-3.
What is the molecular formula of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid?
The molecular formula of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid is C18H18N2O5.
What is the molecular weight of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid?
The molecular weight of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid is 342.12 g/mol.
Where can I buy (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid?
You can request a quote for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.