Isocyanate
TL;DR: Isocyanate (CAS 661-20-1) is a chemical compound with molecular formula CNO- and molecular weight 42.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanate
Also Known As: cyanate, Cyanate ion, Cyanates, isocynate, Isocyanates
| Molecular Formula | CNO- |
|---|---|
| Molecular Weight | 42.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 41.99799 |
| Heavy Atoms | 3 |
| Complexity | 27.0 |
Chemical Identifiers
| CAS Number | 661-20-1 |
|---|---|
| SMILES | C(=[N-])=O |
| InChIKey | IQPQWNKOIGAROB-UHFFFAOYSA-N |
Product Overview
Isocyanate (CAS 661-20-1), with molecular formula CNO- and molecular weight 42.00 g/mol. IUPAC: isocyanate.
Chemical Property Profile of Isocyanate
Property Insights of Isocyanate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyanate. With a topological polar surface area (TPSA) of 18.1 Ų, Isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Isocyanate?
The CAS number of Isocyanate is 661-20-1.
What is the molecular formula of Isocyanate?
The molecular formula of Isocyanate is CNO-.
What is the molecular weight of Isocyanate?
The molecular weight of Isocyanate is 42.00 g/mol.
Where can I buy Isocyanate?
You can request a quote for Isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.