(2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate
TL;DR: (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate (CAS 1491146-18-9) is a chemical compound with molecular formula C11H22N2O3 and molecular weight 230.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R)-3-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
Also Known As: (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate, Methyl (isopropylcarbamoyl)-L-alloisoleucinate, Methyl (2S,3R)-3-methyl-2-{[(propan-2-yl)carbamoyl]amino}pentanoate, methyl (2S,3R)-3-methyl-2-(propan-2-ylcarbamoylamino)pentanoate, methyl (2s,3r)-2-{[(isopropylamino)carbonyl]amino}-3-methylpentanoate
| Molecular Formula | C11H22N2O3 |
|---|---|
| Molecular Weight | 230.16 g/mol |
| LogP | 1.2817 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.16304 |
| Heavy Atoms | 16 |
| Complexity | 241.38417 |
Chemical Identifiers
| CAS Number | 1491146-18-9 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)NC(C)C |
Product Overview
(2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate (CAS 1491146-18-9), with molecular formula C11H22N2O3 and molecular weight 230.16 g/mol. IUPAC: methyl (2S,3R)-3-methyl-2-(propan-2-ylcarbamoylamino)pentanoate.
Chemical Property Profile of (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate
Property Insights of (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate
The XLogP value of 1.2817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate. Following Lipinski's Rule of Five, (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate has 2 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 (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate?
The CAS number of (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate is 1491146-18-9.
What is the molecular formula of (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate?
The molecular formula of (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate is C11H22N2O3.
What is the molecular weight of (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate?
The molecular weight of (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate is 230.16 g/mol.
Where can I buy (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate?
You can request a quote for (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-methyl 2-(3-isopropylureido)-3-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.