Nerfilin I
TL;DR: Nerfilin I (CAS 165189-77-5) is a chemical compound with molecular formula C28H37N3O5 and molecular weight 495.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
Also Known As: Nerfilin I, J1.285.474I, (S)-alpha-[[N-(3-Methylbutyryl)-L-Tyr-L-Val-]amino]benzenepropanal, (2S)-2-(((2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl)amino)-3-methyl-N-((2S)-1-oxo-3-phenylpropan-2-yl)butanamide, (2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanamido)propanamido]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
| Molecular Formula | C28H37N3O5 |
|---|---|
| Molecular Weight | 495.27 g/mol |
| LogP | 2.5328 |
| Topological Polar Surface Area | 124.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 495.27332 |
| Heavy Atoms | 36 |
| Complexity | 1005.60504 |
Chemical Identifiers
| CAS Number | 165189-77-5 |
|---|---|
| SMILES | CC(C)CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C=O |
Product Overview
Nerfilin I (CAS 165189-77-5), with molecular formula C28H37N3O5 and molecular weight 495.27 g/mol. IUPAC: (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide.
Chemical Property Profile of Nerfilin I
Property Insights of Nerfilin I
The XLogP value of 2.5328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nerfilin I. The TPSA of 124.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nerfilin I. Following Lipinski's Rule of Five, Nerfilin I has 4 hydrogen bond donor(s) and 5 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 Nerfilin I?
The CAS number of Nerfilin I is 165189-77-5.
What is the molecular formula of Nerfilin I?
The molecular formula of Nerfilin I is C28H37N3O5.
What is the molecular weight of Nerfilin I?
The molecular weight of Nerfilin I is 495.27 g/mol.
Where can I buy Nerfilin I?
You can request a quote for Nerfilin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nerfilin I?
Yes, KEHONG BIO provides custom synthesis services for Nerfilin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.