异氰酸环戊烷
TL;DR: 异氰酸环戊烷 (CAS 842972-57-0) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异氰酸环戊烷
isocyanatocyclopentane
Also Known As: Cyclopentyl isocyanate, isocyanatocyclopentane, Cyclopentylisocyanate, cyclopentane, isocyanato-, isocyanato cyclopentane
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 842972-57-0 |
|---|---|
| SMILES | C1CCC(C1)N=C=O |
| InChIKey | CZALJDQHONFVFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异氰酸环戊烷 (CAS 842972-57-0), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: isocyanatocyclopentane.
Chemical Property Profile of 异氰酸环戊烷
Property Insights of 异氰酸环戊烷
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异氰酸环戊烷. With a topological polar surface area (TPSA) of 29.4 Ų, 异氰酸环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异氰酸环戊烷 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 异氰酸环戊烷?
The CAS number of 异氰酸环戊烷 is 842972-57-0.
What is the molecular formula of 异氰酸环戊烷?
The molecular formula of 异氰酸环戊烷 is C6H9NO.
What is the molecular weight of 异氰酸环戊烷?
The molecular weight of 异氰酸环戊烷 is 111.07 g/mol.
Where can I buy 异氰酸环戊烷?
You can request a quote for 异氰酸环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异氰酸环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 异氰酸环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.