Cbz-Val-Ala-D-Asp-CH2F
TL;DR: Cbz-Val-Ala-D-Asp-CH2F (CAS 161511-47-3) is a chemical compound with molecular formula C21H28FN3O7 and molecular weight 453.19113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid
Also Known As: Cbz-Val-Ala-D-Asp-CH2F, J1.149.902C, (3R)-5-Fluoro-4-oxo-3-[[N-[N-(benzyloxycarbonyl)-L-valyl]-L-alanyl]amino]pentanoic acid, N-[(Benzyloxy)carbonyl]-L-valyl-N-[(2R)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide, (3R)-3-[(2S)-2-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLBUTANAMIDO]PROPANAMIDO]-5-FLUORO-4-OXOPENTANOIC ACID
Technical Specifications
| Molecular Formula | C21H28FN3O7 |
| Molecular Weight | 453.19113 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 453.19113 Da |
| Heavy Atoms | 32 |
| Complexity | 680.0 |
| SMILES | C[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | SUUHZYLYARUNIA-JOQOYGCGSA-N |
Chemical Property Profile of Cbz-Val-Ala-D-Asp-CH2F
Property Insights of Cbz-Val-Ala-D-Asp-CH2F
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cbz-Val-Ala-D-Asp-CH2F. The TPSA of 151.0 Ų indicates high polarity, suggesting Cbz-Val-Ala-D-Asp-CH2F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-Val-Ala-D-Asp-CH2F has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cbz-Val-Ala-D-Asp-CH2F?
The CAS number of Cbz-Val-Ala-D-Asp-CH2F is 161511-47-3.
What is the molecular formula of Cbz-Val-Ala-D-Asp-CH2F?
The molecular formula of Cbz-Val-Ala-D-Asp-CH2F is C21H28FN3O7.
What is the molecular weight of Cbz-Val-Ala-D-Asp-CH2F?
The molecular weight of Cbz-Val-Ala-D-Asp-CH2F is 453.19113 g/mol.
Where can I buy Cbz-Val-Ala-D-Asp-CH2F?
You can request a quote for Cbz-Val-Ala-D-Asp-CH2F directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cbz-Val-Ala-D-Asp-CH2F?
Yes, CoreyChem provides custom synthesis services for Cbz-Val-Ala-D-Asp-CH2F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.