1-Pentyl isocyanide
TL;DR: 1-Pentyl isocyanide (CAS 18971-59-0) 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.
1-isocyanopentane
Also Known As: 1-isocyanopentane, 1-Pentyl isocyanide, pentylisonitrile, Pentyl isocyanide, 5-Isocyanopentane
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 2.09589 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 61.070496 |
Chemical Identifiers
| CAS Number | 18971-59-0 |
|---|---|
| SMILES | CCCCC[N+]#[C-] |
Product Overview
1-Pentyl isocyanide (CAS 18971-59-0), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 1-isocyanopentane.
Chemical Property Profile of 1-Pentyl isocyanide
Property Insights of 1-Pentyl isocyanide
The XLogP value of 2.09589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentyl isocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Pentyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentyl isocyanide 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 1-Pentyl isocyanide?
The CAS number of 1-Pentyl isocyanide is 18971-59-0.
What is the molecular formula of 1-Pentyl isocyanide?
The molecular formula of 1-Pentyl isocyanide is C6H11N.
What is the molecular weight of 1-Pentyl isocyanide?
The molecular weight of 1-Pentyl isocyanide is 97.09 g/mol.
Where can I buy 1-Pentyl isocyanide?
You can request a quote for 1-Pentyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.