2-(3-Benzyl-ureido)-3-methyl-pentanoic acid
TL;DR: 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid (CAS 958845-69-7) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(benzylcarbamoylamino)-3-methylpentanoic acid
Also Known As: N-(Benzylcarbamoyl)-3-methyl-L-norvaline, 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid, J1.112.476C, (2S)-2-(benzylcarbamoylamino)-3-methylpentanoic acid, (2S,3R)-2-(3-benzylureido)-3-methylpentanoic acid
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 958845-69-7 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC=CC=C1 |
| InChIKey | CXWLDMYMSFWKKP-KFJBMODSSA-N |
Product Overview
2-(3-Benzyl-ureido)-3-methyl-pentanoic acid (CAS 958845-69-7), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: (2S)-2-(benzylcarbamoylamino)-3-methylpentanoic acid.
Chemical Property Profile of 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid
Property Insights of 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid. Following Lipinski's Rule of Five, 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid has 3 hydrogen bond donor(s) and 3 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 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid?
The CAS number of 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid is 958845-69-7.
What is the molecular formula of 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid?
The molecular formula of 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid is C14H20N2O3.
What is the molecular weight of 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid?
The molecular weight of 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid is 264.15 g/mol.
Where can I buy 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid?
You can request a quote for 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzyl-ureido)-3-methyl-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.