Isocyanatocycloheptane
TL;DR: Isocyanatocycloheptane (CAS 4747-68-6) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanatocycloheptane
Also Known As: Cycloheptyl isocyanate, Isocyanatocycloheptane, cycloheptylisocyanate, Cycloheptylisocyanat, Cycloheptyl isocyanate, 97%
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 2.045 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 130.19302 |
Chemical Identifiers
| CAS Number | 4747-68-6 |
|---|---|
| SMILES | C1CCCC(CC1)N=C=O |
Product Overview
Isocyanatocycloheptane (CAS 4747-68-6), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: isocyanatocycloheptane.
Chemical Property Profile of Isocyanatocycloheptane
Property Insights of Isocyanatocycloheptane
The XLogP value of 2.045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyanatocycloheptane. With a topological polar surface area (TPSA) of 29.43 Ų, Isocyanatocycloheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanatocycloheptane 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 Isocyanatocycloheptane?
The CAS number of Isocyanatocycloheptane is 4747-68-6.
What is the molecular formula of Isocyanatocycloheptane?
The molecular formula of Isocyanatocycloheptane is C8H13NO.
What is the molecular weight of Isocyanatocycloheptane?
The molecular weight of Isocyanatocycloheptane is 139.10 g/mol.
Where can I buy Isocyanatocycloheptane?
You can request a quote for Isocyanatocycloheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyanatocycloheptane?
Yes, KEHONG BIO provides custom synthesis services for Isocyanatocycloheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.