N,N-(4-Carboxyphthaloyl)valine
TL;DR: N,N-(4-Carboxyphthaloyl)valine (CAS 295313-91-6) is a chemical compound with molecular formula C14H13NO6 and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S)-1-carboxy-2-methylpropyl]-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: N,N-(4-Carboxyphthaloyl)valine, N,N-(4-Carboxyphthaloyl)-L-valine, J2.256.725J, N-[(S)-1-Carboxy-2-methylpropyl]-4-carboxyphthalimide, 2-[(1S)-1-carboxy-2-methylpropyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
| Molecular Formula | C14H13NO6 |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 1.09 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.07428 |
| Heavy Atoms | 21 |
| Complexity | 663.4281 |
Chemical Identifiers
| CAS Number | 295313-91-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O |
Product Overview
N,N-(4-Carboxyphthaloyl)valine (CAS 295313-91-6), with molecular formula C14H13NO6 and molecular weight 291.07 g/mol. IUPAC: 2-[(1S)-1-carboxy-2-methylpropyl]-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of N,N-(4-Carboxyphthaloyl)valine
Property Insights of N,N-(4-Carboxyphthaloyl)valine
The XLogP value of 1.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-(4-Carboxyphthaloyl)valine. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-(4-Carboxyphthaloyl)valine. Following Lipinski's Rule of Five, N,N-(4-Carboxyphthaloyl)valine has 2 hydrogen bond donor(s) and 4 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,N-(4-Carboxyphthaloyl)valine?
The CAS number of N,N-(4-Carboxyphthaloyl)valine is 295313-91-6.
What is the molecular formula of N,N-(4-Carboxyphthaloyl)valine?
The molecular formula of N,N-(4-Carboxyphthaloyl)valine is C14H13NO6.
What is the molecular weight of N,N-(4-Carboxyphthaloyl)valine?
The molecular weight of N,N-(4-Carboxyphthaloyl)valine is 291.07 g/mol.
Where can I buy N,N-(4-Carboxyphthaloyl)valine?
You can request a quote for N,N-(4-Carboxyphthaloyl)valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-(4-Carboxyphthaloyl)valine?
Yes, KEHONG BIO provides custom synthesis services for N,N-(4-Carboxyphthaloyl)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.