(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid
TL;DR: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid (CAS 956739-80-3) is a chemical compound with molecular formula C15H20N2O5 and molecular weight 308.14 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)-4-methylpentanoic acid
Also Known As: N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-leucine, N-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-L-leucine, (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid, (2S)-2-({[(2H-1,3-Benzodioxol-5-yl)methyl]carbamoyl}amino)-4-methylpentanoic acid, (S)-2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)-4-methylpentanoic acid
| Molecular Formula | C15H20N2O5 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 1.7138 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.1372 |
| Heavy Atoms | 22 |
| Complexity | 558.86383 |
Chemical Identifiers
| CAS Number | 956739-80-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid (CAS 956739-80-3), with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol. IUPAC: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid.
Chemical Property Profile of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid
Property Insights of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid
The XLogP value of 1.7138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic 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)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic 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)-4-methylpentanoic acid?
The CAS number of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid is 956739-80-3.
What is the molecular formula of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid?
The molecular formula of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid is C15H20N2O5.
What is the molecular weight of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid?
The molecular weight of (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid is 308.14 g/mol.
Where can I buy (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid?
You can request a quote for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic 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)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.