蜘蛛菌酸A
TL;DR: 蜘蛛菌酸A (CAS 86630-09-3) is a chemical compound with molecular formula C13H14N2O7 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蜘蛛菌酸A
5-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid
Also Known As: Acromelic acid A, Acromelic acid, SID:134224032, 5-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid, 5-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1,6-dihydropyridine-2-carboxylic acid
| Molecular Formula | C13H14N2O7 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.0801 |
| Heavy Atoms | 22 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 86630-09-3 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)C2=CC=C(NC2=O)C(=O)O |
| InChIKey | CWXNEBSQRIECMV-PJKMHFRUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蜘蛛菌酸A (CAS 86630-09-3), with molecular formula C13H14N2O7 and molecular weight 310.08 g/mol. IUPAC: 5-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid.
Chemical Property Profile of 蜘蛛菌酸A
Property Insights of 蜘蛛菌酸A
The XLogP value of -3.5 indicates that 蜘蛛菌酸A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting 蜘蛛菌酸A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 蜘蛛菌酸A has 5 hydrogen bond donor(s) and 8 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 蜘蛛菌酸A?
The CAS number of 蜘蛛菌酸A is 86630-09-3.
What is the molecular formula of 蜘蛛菌酸A?
The molecular formula of 蜘蛛菌酸A is C13H14N2O7.
What is the molecular weight of 蜘蛛菌酸A?
The molecular weight of 蜘蛛菌酸A is 310.08 g/mol.
Where can I buy 蜘蛛菌酸A?
You can request a quote for 蜘蛛菌酸A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蜘蛛菌酸A?
Yes, KEHONG BIO provides custom synthesis services for 蜘蛛菌酸A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.