水杨酰谷氨酸
TL;DR: 水杨酰谷氨酸 (CAS 39084-75-8) is a chemical compound with molecular formula C12H13NO6 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨酰谷氨酸
(2S)-2-[(2-hydroxybenzoyl)amino]pentanedioic acid
Also Known As: Salicylglutamic acid, Salicyl-glutamic acid, Glutamic acid, N-salicyloyl-, N-salicyloylglutamic acid, N-(2-Hydroxybenzoyl)-L-glutamic acid
| Molecular Formula | C12H13NO6 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.07428 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 39084-75-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)O |
| InChIKey | SLCAFYIDOSJSMB-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酰谷氨酸 (CAS 39084-75-8), with molecular formula C12H13NO6 and molecular weight 267.07 g/mol. IUPAC: (2S)-2-[(2-hydroxybenzoyl)amino]pentanedioic acid.
Chemical Property Profile of 水杨酰谷氨酸
Property Insights of 水杨酰谷氨酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水杨酰谷氨酸. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 水杨酰谷氨酸. Following Lipinski's Rule of Five, 水杨酰谷氨酸 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 水杨酰谷氨酸?
The CAS number of 水杨酰谷氨酸 is 39084-75-8.
What is the molecular formula of 水杨酰谷氨酸?
The molecular formula of 水杨酰谷氨酸 is C12H13NO6.
What is the molecular weight of 水杨酰谷氨酸?
The molecular weight of 水杨酰谷氨酸 is 267.07 g/mol.
Where can I buy 水杨酰谷氨酸?
You can request a quote for 水杨酰谷氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酰谷氨酸?
Yes, KEHONG BIO provides custom synthesis services for 水杨酰谷氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.