N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine
TL;DR: N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine (CAS 1173673-79-4) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylbutanoic acid
Also Known As: N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine, (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylbutanoic acid, 2-(benzo[1,3]dioxol-5-ylcarbamoylamino)-3-methyl-butanoic Acid, (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-3-methylbutanoic acid
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.646 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 529.49286 |
Chemical Identifiers
| CAS Number | 1173673-79-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine (CAS 1173673-79-4), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylbutanoic acid.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine
Property Insights of N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine
The XLogP value of 1.646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine 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 N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine?
The CAS number of N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine is 1173673-79-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine?
The molecular formula of N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine is C13H16N2O5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine?
The molecular weight of N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine is 280.11 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine?
You can request a quote for N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylcarbamoyl)-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.