n-Heptyl isocyanate
TL;DR: n-Heptyl isocyanate (CAS 745783-76-0) is a chemical compound with molecular formula C8H15NO and molecular weight 141.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanatoheptane
Also Known As: Heptyl isocyanate, n-Heptyl isocyanate, 1-isocyanatoheptane, N-HEPTYLISOCYANATE, heptylisocyanate
| Molecular Formula | C8H15NO |
|---|---|
| Molecular Weight | 141.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 141.11537 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 745783-76-0 |
|---|---|
| SMILES | CCCCCCCN=C=O |
| InChIKey | RFXBSYPBSRSQDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Heptyl isocyanate (CAS 745783-76-0), with molecular formula C8H15NO and molecular weight 141.12 g/mol. IUPAC: 1-isocyanatoheptane.
Chemical Property Profile of n-Heptyl isocyanate
Property Insights of n-Heptyl isocyanate
The XLogP value of 3.9 indicates that n-Heptyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, n-Heptyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Heptyl isocyanate 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 n-Heptyl isocyanate?
The CAS number of n-Heptyl isocyanate is 745783-76-0.
What is the molecular formula of n-Heptyl isocyanate?
The molecular formula of n-Heptyl isocyanate is C8H15NO.
What is the molecular weight of n-Heptyl isocyanate?
The molecular weight of n-Heptyl isocyanate is 141.12 g/mol.
Where can I buy n-Heptyl isocyanate?
You can request a quote for n-Heptyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Heptyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for n-Heptyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.