(S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid
TL;DR: (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid (CAS 412054-59-2) is a chemical compound with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
Also Known As: (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid, 2-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-butanoic Acid, (2S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
| Molecular Formula | C12H14Cl2N2O3 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 3.2241 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.03815 |
| Heavy Atoms | 19 |
| Complexity | 491.86288 |
Chemical Identifiers
| CAS Number | 412054-59-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
(S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid (CAS 412054-59-2), with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol. IUPAC: (2S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid.
Chemical Property Profile of (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid
Property Insights of (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid
The XLogP value of 3.2241 indicates that (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid has 3 hydrogen bond donor(s) and 2 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-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid?
The CAS number of (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid is 412054-59-2.
What is the molecular formula of (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid?
The molecular formula of (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid is C12H14Cl2N2O3.
What is the molecular weight of (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid?
The molecular weight of (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid is 304.04 g/mol.
Where can I buy (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid?
You can request a quote for (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic 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-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(3,4-dichlorophenyl)ureido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.