![(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid structure](/static/products/117/1173660-27-9.png)
(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid
TL;DR: (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid (CAS 1173660-27-9) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylpentanoic acid
Also Known As: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylpentanoic acid, 2-(benzo[1,3]dioxol-5-ylcarbamoylamino)-4-methyl-pentanoic Acid, (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 2.0361 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 544.16595 |
Chemical Identifiers
| CAS Number | 1173660-27-9 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid (CAS 1173660-27-9), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylpentanoic acid.
Chemical Property Profile of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid
Property Insights of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid
The XLogP value of 2.0361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-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 (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid?
The CAS number of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid is 1173660-27-9.
What is the molecular formula of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid?
The molecular formula of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid is C14H18N2O5.
What is the molecular weight of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid?
The molecular weight of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid is 294.12 g/mol.
Where can I buy (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid?
You can request a quote for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-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 (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.