N-Acetyldehydrophenylalanylproline diketopiperazine
TL;DR: N-Acetyldehydrophenylalanylproline diketopiperazine (CAS 36199-70-9) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-2-acetyl-3-benzylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
Also Known As: N-Acetyldehydro-phe-pro diketopiperazine, Cid 5363439, N-Acetyldehydrophenylalanylproline diketopiperazine, N-Acetyldehydrophenylalanyl-L-proline diketopiperazine, Pyrrolo(1,2-a)pyrazine-1,4-dione, 2-acetylhexahydro-3-(phenylmethylene)-
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 1.4072 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 636.182 |
Chemical Identifiers
| CAS Number | 36199-70-9 |
|---|---|
| SMILES | CC(=O)N1/C(=C/C2=CC=CC=C2)/C(=O)N3CCCC3C1=O |
Product Overview
N-Acetyldehydrophenylalanylproline diketopiperazine (CAS 36199-70-9), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: (3E)-2-acetyl-3-benzylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.
Chemical Property Profile of N-Acetyldehydrophenylalanylproline diketopiperazine
Property Insights of N-Acetyldehydrophenylalanylproline diketopiperazine
The XLogP value of 1.4072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyldehydrophenylalanylproline diketopiperazine. With a topological polar surface area (TPSA) of 57.69 Ų, N-Acetyldehydrophenylalanylproline diketopiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetyldehydrophenylalanylproline diketopiperazine 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 N-Acetyldehydrophenylalanylproline diketopiperazine?
The CAS number of N-Acetyldehydrophenylalanylproline diketopiperazine is 36199-70-9.
What is the molecular formula of N-Acetyldehydrophenylalanylproline diketopiperazine?
The molecular formula of N-Acetyldehydrophenylalanylproline diketopiperazine is C16H16N2O3.
What is the molecular weight of N-Acetyldehydrophenylalanylproline diketopiperazine?
The molecular weight of N-Acetyldehydrophenylalanylproline diketopiperazine is 284.12 g/mol.
Where can I buy N-Acetyldehydrophenylalanylproline diketopiperazine?
You can request a quote for N-Acetyldehydrophenylalanylproline diketopiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyldehydrophenylalanylproline diketopiperazine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyldehydrophenylalanylproline diketopiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.