Methyl 1-isocyanocyclohexaneacetate
TL;DR: Methyl 1-isocyanocyclohexaneacetate (CAS 730964-83-7) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-isocyanocyclohexyl)acetate
Also Known As: Methyl 2-(1-isocyanocyclohexyl)acetate, 2- ACETICACIDMETHYLESTER, Methyl 1-isocyanocyclohexaneacetate, Methyl (1-isocyanocyclohexyl)acetate, 2-(1'-Isocyanocyclohexyl) acetic acid methyl ester
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.17169 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 223.56947 |
Chemical Identifiers
| CAS Number | 730964-83-7 |
|---|---|
| SMILES | COC(=O)CC1(CCCCC1)[N+]#[C-] |
Product Overview
Methyl 1-isocyanocyclohexaneacetate (CAS 730964-83-7), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: methyl 2-(1-isocyanocyclohexyl)acetate.
Chemical Property Profile of Methyl 1-isocyanocyclohexaneacetate
Property Insights of Methyl 1-isocyanocyclohexaneacetate
The XLogP value of 2.17169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-isocyanocyclohexaneacetate. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl 1-isocyanocyclohexaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-isocyanocyclohexaneacetate 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 Methyl 1-isocyanocyclohexaneacetate?
The CAS number of Methyl 1-isocyanocyclohexaneacetate is 730964-83-7.
What is the molecular formula of Methyl 1-isocyanocyclohexaneacetate?
The molecular formula of Methyl 1-isocyanocyclohexaneacetate is C10H15NO2.
What is the molecular weight of Methyl 1-isocyanocyclohexaneacetate?
The molecular weight of Methyl 1-isocyanocyclohexaneacetate is 181.11 g/mol.
Where can I buy Methyl 1-isocyanocyclohexaneacetate?
You can request a quote for Methyl 1-isocyanocyclohexaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-isocyanocyclohexaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-isocyanocyclohexaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.