Methyl 5-isocyanopentanoate
TL;DR: Methyl 5-isocyanopentanoate (CAS 72135-08-1) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-isocyanopentanoate
Also Known As: Methyl 5-isocyanopentanoate, 5-Isocyanovaleric acid methyl ester
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.24899 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 137.03175 |
Chemical Identifiers
| CAS Number | 72135-08-1 |
|---|---|
| SMILES | COC(=O)CCCC[N+]#[C-] |
Product Overview
Methyl 5-isocyanopentanoate (CAS 72135-08-1), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: methyl 5-isocyanopentanoate.
Chemical Property Profile of Methyl 5-isocyanopentanoate
Property Insights of Methyl 5-isocyanopentanoate
The XLogP value of 1.24899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-isocyanopentanoate. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl 5-isocyanopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-isocyanopentanoate 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 5-isocyanopentanoate?
The CAS number of Methyl 5-isocyanopentanoate is 72135-08-1.
What is the molecular formula of Methyl 5-isocyanopentanoate?
The molecular formula of Methyl 5-isocyanopentanoate is C7H11NO2.
What is the molecular weight of Methyl 5-isocyanopentanoate?
The molecular weight of Methyl 5-isocyanopentanoate is 141.08 g/mol.
Where can I buy Methyl 5-isocyanopentanoate?
You can request a quote for Methyl 5-isocyanopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-isocyanopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-isocyanopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.