邻苯二甲酰异谷氨酰胺
TL;DR: 邻苯二甲酰异谷氨酰胺 (CAS 30076-84-7) is a chemical compound with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酰异谷氨酰胺
2-[[(2S)-1-amino-4-carboxy-1-oxobutan-2-yl]carbamoyl]benzoic acid
Also Known As: Phthaloyl isoglutamine, J2.440.236C, N2-(2-Carboxybenzoyl)-L-glutamic acid alpha-amide, Phthalamic acid, N-(1-carbamoyl-3-carboxypropyl)-, L-, (S)-2-(((1-(Aminocarbonyl)-3-carboxypropyl)amino)carbonyl)benzoic acid
| Molecular Formula | C13H14N2O6 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.08517 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 30076-84-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N)C(=O)O |
| InChIKey | JOAOKNHCUKCBBE-VIFPVBQESA-N |
Product Overview
邻苯二甲酰异谷氨酰胺 (CAS 30076-84-7), with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol. IUPAC: 2-[[(2S)-1-amino-4-carboxy-1-oxobutan-2-yl]carbamoyl]benzoic acid.
Chemical Property Profile of 邻苯二甲酰异谷氨酰胺
Property Insights of 邻苯二甲酰异谷氨酰胺
The XLogP value of -0.4 indicates that 邻苯二甲酰异谷氨酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 邻苯二甲酰异谷氨酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 邻苯二甲酰异谷氨酰胺 has 4 hydrogen bond donor(s) and 6 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 邻苯二甲酰异谷氨酰胺?
The CAS number of 邻苯二甲酰异谷氨酰胺 is 30076-84-7.
What is the molecular formula of 邻苯二甲酰异谷氨酰胺?
The molecular formula of 邻苯二甲酰异谷氨酰胺 is C13H14N2O6.
What is the molecular weight of 邻苯二甲酰异谷氨酰胺?
The molecular weight of 邻苯二甲酰异谷氨酰胺 is 294.09 g/mol.
Where can I buy 邻苯二甲酰异谷氨酰胺?
You can request a quote for 邻苯二甲酰异谷氨酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酰异谷氨酰胺?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酰异谷氨酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.