异氰酸甲酰氯
TL;DR: 异氰酸甲酰氯 (CAS 27738-96-1) is a chemical compound with molecular formula C2ClNO2 and molecular weight 104.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异氰酸甲酰氯
N-(oxomethylidene)carbamoyl chloride
Also Known As: Isocyanatocarbonyl chloride, carbonisocyanatidic chloride, chlorocarbonyl isocyanate, N-Chlorocarbonyl Isocyanate, N-(Chlorocarbonyl)isocyanate
| Molecular Formula | C2ClNO2 |
|---|---|
| Molecular Weight | 104.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.961754 |
| Heavy Atoms | 6 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 27738-96-1 |
|---|---|
| SMILES | C(=NC(=O)Cl)=O |
| InChIKey | VBBUFMFZDHLELS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异氰酸甲酰氯 (CAS 27738-96-1), with molecular formula C2ClNO2 and molecular weight 104.96 g/mol. IUPAC: N-(oxomethylidene)carbamoyl chloride.
Chemical Property Profile of 异氰酸甲酰氯
Property Insights of 异氰酸甲酰氯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异氰酸甲酰氯. With a topological polar surface area (TPSA) of 46.5 Ų, 异氰酸甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异氰酸甲酰氯 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 异氰酸甲酰氯?
The CAS number of 异氰酸甲酰氯 is 27738-96-1.
What is the molecular formula of 异氰酸甲酰氯?
The molecular formula of 异氰酸甲酰氯 is C2ClNO2.
What is the molecular weight of 异氰酸甲酰氯?
The molecular weight of 异氰酸甲酰氯 is 104.96 g/mol.
Where can I buy 异氰酸甲酰氯?
You can request a quote for 异氰酸甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异氰酸甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 异氰酸甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.