Carboxymethoxyisopropylisonitrile
TL;DR: Carboxymethoxyisopropylisonitrile (CAS 119637-68-2) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyano-4-methoxybutanoic acid
Also Known As: CMIIN, Carboxymethoxyisopropylisonitrile, 3-isocyano-4-methoxybutanoic acid, Butanoic acid, 3-isocyano-4-methoxy-, Butanoic acid,3-isocyano-4-methoxy
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | 0.39539 |
| Topological Polar Surface Area | 50.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 149.56215 |
Chemical Identifiers
| CAS Number | 119637-68-2 |
|---|---|
| SMILES | COCC(CC(=O)O)[N+]#[C-] |
Product Overview
Carboxymethoxyisopropylisonitrile (CAS 119637-68-2), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: 3-isocyano-4-methoxybutanoic acid.
Chemical Property Profile of Carboxymethoxyisopropylisonitrile
Property Insights of Carboxymethoxyisopropylisonitrile
The XLogP value of 0.39539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carboxymethoxyisopropylisonitrile. With a topological polar surface area (TPSA) of 50.89 Ų, Carboxymethoxyisopropylisonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carboxymethoxyisopropylisonitrile has 1 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 Carboxymethoxyisopropylisonitrile?
The CAS number of Carboxymethoxyisopropylisonitrile is 119637-68-2.
What is the molecular formula of Carboxymethoxyisopropylisonitrile?
The molecular formula of Carboxymethoxyisopropylisonitrile is C6H9NO3.
What is the molecular weight of Carboxymethoxyisopropylisonitrile?
The molecular weight of Carboxymethoxyisopropylisonitrile is 143.06 g/mol.
Where can I buy Carboxymethoxyisopropylisonitrile?
You can request a quote for Carboxymethoxyisopropylisonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxymethoxyisopropylisonitrile?
Yes, KEHONG BIO provides custom synthesis services for Carboxymethoxyisopropylisonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.