3-Isocyanopentane
TL;DR: 3-Isocyanopentane (CAS 115591-41-8) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanopentane
Also Known As: 3-isocyanopentane
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 2.09429 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 66.73943 |
Chemical Identifiers
| CAS Number | 115591-41-8 |
|---|---|
| SMILES | CCC(CC)[N+]#[C-] |
Product Overview
3-Isocyanopentane (CAS 115591-41-8), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 3-isocyanopentane.
Chemical Property Profile of 3-Isocyanopentane
Property Insights of 3-Isocyanopentane
The XLogP value of 2.09429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanopentane. With a topological polar surface area (TPSA) of 4.36 Ų, 3-Isocyanopentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanopentane has 0 hydrogen bond donor(s) and 0 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 3-Isocyanopentane?
The CAS number of 3-Isocyanopentane is 115591-41-8.
What is the molecular formula of 3-Isocyanopentane?
The molecular formula of 3-Isocyanopentane is C6H11N.
What is the molecular weight of 3-Isocyanopentane?
The molecular weight of 3-Isocyanopentane is 97.09 g/mol.
Where can I buy 3-Isocyanopentane?
You can request a quote for 3-Isocyanopentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanopentane?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.