2-Isocyano-2,4-dimethylpentanoic acid methyl ester
TL;DR: 2-Isocyano-2,4-dimethylpentanoic acid methyl ester (CAS 730964-76-8) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isocyano-2,4-dimethylpentanoate
Also Known As: 2-Isocyano-2,4-dimethylpentanoic acid methyl ester, methyl 2-isocyano-2,4-dimethylpentanoate, Methyl 2-isocyano-2,4-dimethyl-pentanoate, 2-ISOCYANO-2,4-DIMETHYLPENTANOICACIDMETHYLESTER, Pentanoic acid, 2-isocyano-2,4-dimethyl-, methyl ester
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.88349 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 205.0643 |
Chemical Identifiers
| CAS Number | 730964-76-8 |
|---|---|
| SMILES | CC(C)CC(C)(C(=O)OC)[N+]#[C-] |
Product Overview
2-Isocyano-2,4-dimethylpentanoic acid methyl ester (CAS 730964-76-8), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: methyl 2-isocyano-2,4-dimethylpentanoate.
Chemical Property Profile of 2-Isocyano-2,4-dimethylpentanoic acid methyl ester
Property Insights of 2-Isocyano-2,4-dimethylpentanoic acid methyl ester
The XLogP value of 1.88349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyano-2,4-dimethylpentanoic acid methyl ester. With a topological polar surface area (TPSA) of 30.66 Ų, 2-Isocyano-2,4-dimethylpentanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyano-2,4-dimethylpentanoic acid methyl ester has 0 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 2-Isocyano-2,4-dimethylpentanoic acid methyl ester?
The CAS number of 2-Isocyano-2,4-dimethylpentanoic acid methyl ester is 730964-76-8.
What is the molecular formula of 2-Isocyano-2,4-dimethylpentanoic acid methyl ester?
The molecular formula of 2-Isocyano-2,4-dimethylpentanoic acid methyl ester is C9H15NO2.
What is the molecular weight of 2-Isocyano-2,4-dimethylpentanoic acid methyl ester?
The molecular weight of 2-Isocyano-2,4-dimethylpentanoic acid methyl ester is 169.11 g/mol.
Where can I buy 2-Isocyano-2,4-dimethylpentanoic acid methyl ester?
You can request a quote for 2-Isocyano-2,4-dimethylpentanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyano-2,4-dimethylpentanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyano-2,4-dimethylpentanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.