N-Heptafluorobutyrylproline
TL;DR: N-Heptafluorobutyrylproline (CAS 56236-41-0) is a chemical compound with molecular formula C9H7ClF7NO2 and molecular weight 329.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carbonyl chloride
Also Known As: N-Heptafluorobutyrylproline, HFBP, N-(Heptafluorobutyryl)prolyl chloride, N-heptafluorobutyryl-l-prolyl chloride, 1-(Heptafluorobutyryl)proline chloride
| Molecular Formula | C9H7ClF7NO2 |
|---|---|
| Molecular Weight | 329.01 g/mol |
| LogP | 2.5757 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.00534 |
| Heavy Atoms | 20 |
| Complexity | 423.00934 |
Chemical Identifiers
| CAS Number | 56236-41-0 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)Cl |
Product Overview
N-Heptafluorobutyrylproline (CAS 56236-41-0), with molecular formula C9H7ClF7NO2 and molecular weight 329.01 g/mol. IUPAC: (2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carbonyl chloride.
Chemical Property Profile of N-Heptafluorobutyrylproline
Property Insights of N-Heptafluorobutyrylproline
The XLogP value of 2.5757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Heptafluorobutyrylproline. With a topological polar surface area (TPSA) of 37.38 Ų, N-Heptafluorobutyrylproline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Heptafluorobutyrylproline 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 N-Heptafluorobutyrylproline?
The CAS number of N-Heptafluorobutyrylproline is 56236-41-0.
What is the molecular formula of N-Heptafluorobutyrylproline?
The molecular formula of N-Heptafluorobutyrylproline is C9H7ClF7NO2.
What is the molecular weight of N-Heptafluorobutyrylproline?
The molecular weight of N-Heptafluorobutyrylproline is 329.01 g/mol.
Where can I buy N-Heptafluorobutyrylproline?
You can request a quote for N-Heptafluorobutyrylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Heptafluorobutyrylproline?
Yes, KEHONG BIO provides custom synthesis services for N-Heptafluorobutyrylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.