(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid
TL;DR: (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid (CAS 5959-79-5) is a chemical compound with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: NCIStruc1_000881, NCIStruc2_000430, J3.368.045G, (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid, (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoic acid
| Molecular Formula | C14H11N3O4 |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.07495 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 5959-79-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CC3=CN=CN3)C(=O)O |
| InChIKey | CTUUVOUXZNQMSU-NSHDSACASA-N |
Product Overview
(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid (CAS 5959-79-5), with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol. IUPAC: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid
Property Insights of (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid. Following Lipinski's Rule of Five, (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid has 2 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 (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid?
The CAS number of (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid is 5959-79-5.
What is the molecular formula of (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid?
The molecular formula of (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid is C14H11N3O4.
What is the molecular weight of (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid?
The molecular weight of (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid is 285.07 g/mol.
Where can I buy (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid?
You can request a quote for (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.