3-Isocyanatopropanoyl chloride
TL;DR: 3-Isocyanatopropanoyl chloride (CAS 3729-19-9) is a chemical compound with molecular formula C4H4ClNO2 and molecular weight 132.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanatopropanoyl chloride
Also Known As: 3-isocyanatopropanoyl chloride, 3-Isocyanatopropanoylchlorid, propanoyl chloride, 3-isocyanato-, 3-isocyanato-propionyl chloride, propanoyl chloride,3-isocyanato
| Molecular Formula | C4H4ClNO2 |
|---|---|
| Molecular Weight | 132.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.99306 |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 3729-19-9 |
|---|---|
| SMILES | C(CN=C=O)C(=O)Cl |
| InChIKey | NVFNGVSNLHYRSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isocyanatopropanoyl chloride (CAS 3729-19-9), with molecular formula C4H4ClNO2 and molecular weight 132.99 g/mol. IUPAC: 3-isocyanatopropanoyl chloride.
Chemical Property Profile of 3-Isocyanatopropanoyl chloride
Property Insights of 3-Isocyanatopropanoyl chloride
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanatopropanoyl chloride. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Isocyanatopropanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanatopropanoyl chloride has 0 hydrogen bond donor(s) and 3 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 3-Isocyanatopropanoyl chloride?
The CAS number of 3-Isocyanatopropanoyl chloride is 3729-19-9.
What is the molecular formula of 3-Isocyanatopropanoyl chloride?
The molecular formula of 3-Isocyanatopropanoyl chloride is C4H4ClNO2.
What is the molecular weight of 3-Isocyanatopropanoyl chloride?
The molecular weight of 3-Isocyanatopropanoyl chloride is 132.99 g/mol.
Where can I buy 3-Isocyanatopropanoyl chloride?
You can request a quote for 3-Isocyanatopropanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanatopropanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanatopropanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.