![N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine structure](/static/products/1048/1048005-45-3.webp)
N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine
TL;DR: N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine (CAS 1048005-45-3) is a chemical compound with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(prop-2-enylamino)butanoic acid
Also Known As: N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine, (2R)-3-(benzo[1,3]dioxol-5-ylcarbamoyl)-2-(prop-2-enylamino)propanoic Acid
| Molecular Formula | C14H16N2O5 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 0.9727 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.10593 |
| Heavy Atoms | 21 |
| Complexity | 558.2954 |
Chemical Identifiers
| CAS Number | 1048005-45-3 |
|---|---|
| SMILES | C=CCN[C@@H](CC(=O)NC1=CC2=C(C=C1)OCO2)C(=O)O |
Product Overview
N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine (CAS 1048005-45-3), with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol. IUPAC: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(prop-2-enylamino)butanoic acid.
Chemical Property Profile of N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine
Property Insights of N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine
The XLogP value of 0.9727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine. Following Lipinski's Rule of Five, N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine has 3 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 N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine?
The CAS number of N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine is 1048005-45-3.
What is the molecular formula of N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine?
The molecular formula of N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine is C14H16N2O5.
What is the molecular weight of N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine?
The molecular weight of N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine is 292.11 g/mol.
Where can I buy N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine?
You can request a quote for N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N2-Allyl-N4-(benzo[d][1,3]dioxol-5-yl)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.