Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
TL;DR: Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 377-00-4) is a chemical compound with molecular formula C5H2F7NO and molecular weight 225.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane
Also Known As: 2,2,3,3,4,4,4-Heptafluorobutyl isocyanate, 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane, ISOCYANIC ACID, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER, 2,2,3,3,4,4,4-Heptafluorobutylisocyanate, 4-04-00-00613 (Beilstein Handbook Reference)
| Molecular Formula | C5H2F7NO |
|---|---|
| Molecular Weight | 225.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.00246 |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 377-00-4 |
|---|---|
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)N=C=O |
| InChIKey | NLGMQMZUOBUPCW-UHFFFAOYSA-N |
Product Overview
Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 377-00-4), with molecular formula C5H2F7NO and molecular weight 225.00 g/mol. IUPAC: 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane.
Chemical Property Profile of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Property Insights of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
The XLogP value of 3.5 indicates that Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester has 0 hydrogen bond donor(s) and 9 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 Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The CAS number of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 377-00-4.
What is the molecular formula of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The molecular formula of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is C5H2F7NO.
What is the molecular weight of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
The molecular weight of Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 225.00 g/mol.
Where can I buy Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
You can request a quote for Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isocyanic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.