异氰酸
TL;DR: 异氰酸 (CAS 75-13-8) is a chemical compound with molecular formula CHNO and molecular weight 43.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异氰酸
isocyanic acid
Also Known As: Isocyanic acid, Carbimide, Hydrogen isocyanate, isozyansaeure, isocyansaeure
| Molecular Formula | CHNO |
|---|---|
| Molecular Weight | 43.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 43.005814 |
| Heavy Atoms | 3 |
| Complexity | 27.0 |
| Vapor Pressure | 996 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 75-13-8 |
|---|---|
| SMILES | C(=N)=O |
| InChIKey | OWIKHYCFFJSOEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异氰酸 (CAS 75-13-8), with molecular formula CHNO and molecular weight 43.01 g/mol. IUPAC: isocyanic acid.
Chemical Property Profile of 异氰酸
Property Insights of 异氰酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异氰酸. With a topological polar surface area (TPSA) of 40.9 Ų, 异氰酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异氰酸 has 1 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?
The CAS number of 异氰酸 is 75-13-8.
What is the molecular formula of 异氰酸?
The molecular formula of 异氰酸 is CHNO.
What is the molecular weight of 异氰酸?
The molecular weight of 异氰酸 is 43.01 g/mol.
Where can I buy 异氰酸?
You can request a quote for 异氰酸 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?
Yes, KEHONG BIO provides custom synthesis services for 异氰酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.