白屈氨酸
TL;DR: 白屈氨酸 (CAS 138-60-3) is a chemical compound with molecular formula C7H9NO5 and molecular weight 187.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白屈氨酸
4-oxopiperidine-2,6-dicarboxylic acid
Also Known As: CHELIDAMIC ACID, 4-oxopiperidine-2,6-dicarboxylic Acid, 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid, 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-, 2,6-Pyridinedicarboxylicacid, 1,4-dihydro-4-oxo-
| Molecular Formula | C7H9NO5 |
|---|---|
| Molecular Weight | 187.05 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.04807 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 138-60-3 |
|---|---|
| SMILES | C1C(NC(CC1=O)C(=O)O)C(=O)O |
| InChIKey | GBSHZANWEXIZRX-UHFFFAOYSA-N |
Product Overview
白屈氨酸 (CAS 138-60-3), with molecular formula C7H9NO5 and molecular weight 187.05 g/mol. IUPAC: 4-oxopiperidine-2,6-dicarboxylic acid.
Chemical Property Profile of 白屈氨酸
Property Insights of 白屈氨酸
The XLogP value of -3.8 indicates that 白屈氨酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 白屈氨酸. Following Lipinski's Rule of Five, 白屈氨酸 has 3 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 白屈氨酸?
The CAS number of 白屈氨酸 is 138-60-3.
What is the molecular formula of 白屈氨酸?
The molecular formula of 白屈氨酸 is C7H9NO5.
What is the molecular weight of 白屈氨酸?
The molecular weight of 白屈氨酸 is 187.05 g/mol.
Where can I buy 白屈氨酸?
You can request a quote for 白屈氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白屈氨酸?
Yes, KEHONG BIO provides custom synthesis services for 白屈氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.