Isocyanic acid, 2,3-dibromoallyl ester
TL;DR: Isocyanic acid, 2,3-dibromoallyl ester (CAS 101652-14-6) is a chemical compound with molecular formula C4H3Br2NO and molecular weight 238.85814 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-1,2-dibromo-3-isocyanatoprop-1-ene
Also Known As: 2,3-Dibromoallyl isocyanate, ISOCYANIC ACID, 2,3-DIBROMOALLYL ESTER, 1,2-dibromo-3-isocyanatoprop-1-ene, (Z)-1,2-dibromo-3-isocyanatoprop-1-ene
Technical Specifications
| Molecular Formula | C4H3Br2NO |
| Molecular Weight | 238.85814 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.85814 Da |
| Heavy Atoms | 8 |
| Complexity | 137.0 |
| SMILES | C(/C(=C/Br)/Br)N=C=O |
| InChIKey | PGBREWUTIOKKHW-RJRFIUFISA-N |
Chemical Property Profile of Isocyanic acid, 2,3-dibromoallyl ester
Property Insights of Isocyanic acid, 2,3-dibromoallyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyanic acid, 2,3-dibromoallyl ester. With a topological polar surface area (TPSA) of 29.4 Ų, Isocyanic acid, 2,3-dibromoallyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanic acid, 2,3-dibromoallyl ester 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
What is the CAS number of Isocyanic acid, 2,3-dibromoallyl ester?
The CAS number of Isocyanic acid, 2,3-dibromoallyl ester is 101652-14-6.
What is the molecular formula of Isocyanic acid, 2,3-dibromoallyl ester?
The molecular formula of Isocyanic acid, 2,3-dibromoallyl ester is C4H3Br2NO.
What is the molecular weight of Isocyanic acid, 2,3-dibromoallyl ester?
The molecular weight of Isocyanic acid, 2,3-dibromoallyl ester is 238.85814 g/mol.
Where can I buy Isocyanic acid, 2,3-dibromoallyl ester?
You can request a quote for Isocyanic acid, 2,3-dibromoallyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocyanic acid, 2,3-dibromoallyl ester?
Yes, CoreyChem provides custom synthesis services for Isocyanic acid, 2,3-dibromoallyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.