n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
TL;DR: n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CAS 4314-29-8) is a chemical compound with molecular formula C6H5ClF7NO and molecular weight 274.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Also Known As: NCIOpen2_005058, n-(2-chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide, RefChem:360584
| Molecular Formula | C6H5ClF7NO |
|---|---|
| Molecular Weight | 274.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.99478 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 4314-29-8 |
|---|---|
| SMILES | C(CCl)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | ORSKKCUOGCUQSI-UHFFFAOYSA-N |
Product Overview
n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CAS 4314-29-8), with molecular formula C6H5ClF7NO and molecular weight 274.99 g/mol. IUPAC: N-(2-chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
Chemical Property Profile of n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Property Insights of n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide. With a topological polar surface area (TPSA) of 29.1 Ų, n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide has 1 hydrogen bond donor(s) and 8 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 n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The CAS number of n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide is 4314-29-8.
What is the molecular formula of n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The molecular formula of n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide is C6H5ClF7NO.
What is the molecular weight of n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The molecular weight of n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide is 274.99 g/mol.
Where can I buy n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
You can request a quote for n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
Yes, KEHONG BIO provides custom synthesis services for n-(2-Chloroethyl)-2,2,3,3,4,4,4-heptafluorobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.