Nidulalin A
TL;DR: Nidulalin A (CAS 162901-86-2) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R,4aS)-4,8-dihydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate
Also Known As: Nidulalin A, MEGxm0_000109, methyl (4R,4aS)-4,8-dihydroxy-6-methyl-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate, Methyl 4,8-dihydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate, methyl (4R,4aS)-4,8-dihydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 1.04462 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 745.2481 |
Chemical Identifiers
| CAS Number | 162901-86-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)O[C@@]3([C@@H](C=CC=C3C2=O)O)C(=O)OC)O |
Product Overview
Nidulalin A (CAS 162901-86-2), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: methyl (4R,4aS)-4,8-dihydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate.
Chemical Property Profile of Nidulalin A
Property Insights of Nidulalin A
The XLogP value of 1.04462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nidulalin A. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Nidulalin A. Following Lipinski's Rule of Five, Nidulalin A has 2 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 Nidulalin A?
The CAS number of Nidulalin A is 162901-86-2.
What is the molecular formula of Nidulalin A?
The molecular formula of Nidulalin A is C16H14O6.
What is the molecular weight of Nidulalin A?
The molecular weight of Nidulalin A is 302.08 g/mol.
Where can I buy Nidulalin A?
You can request a quote for Nidulalin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nidulalin A?
Yes, KEHONG BIO provides custom synthesis services for Nidulalin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.