9alpha-Hydroxymerulidial
TL;DR: 9alpha-Hydroxymerulidial (CAS 1321-91-1) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aR,2R,2aR,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde
Also Known As: 9alpha-Hydroxymerulidial, A-hydroxymerulidial, 9-alpha-Hydroxymerulidial, NIOSH/OX4006000, KST-1A1092
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 1321-91-1 |
|---|---|
| SMILES | C[C@@]12C[C@@]1(C(=C3CC(C[C@@]3([C@@H]2O)O)(C)C)C=O)C=O |
| InChIKey | YOHHEVRXKIVTMR-UQOMUDLDSA-N |
Product Overview
9alpha-Hydroxymerulidial (CAS 1321-91-1), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: (1aR,2R,2aR,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde.
Chemical Property Profile of 9alpha-Hydroxymerulidial
Property Insights of 9alpha-Hydroxymerulidial
The XLogP value of -0.4 indicates that 9alpha-Hydroxymerulidial is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9alpha-Hydroxymerulidial. Following Lipinski's Rule of Five, 9alpha-Hydroxymerulidial has 2 hydrogen bond donor(s) and 4 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 9alpha-Hydroxymerulidial?
The CAS number of 9alpha-Hydroxymerulidial is 1321-91-1.
What is the molecular formula of 9alpha-Hydroxymerulidial?
The molecular formula of 9alpha-Hydroxymerulidial is C15H20O4.
What is the molecular weight of 9alpha-Hydroxymerulidial?
The molecular weight of 9alpha-Hydroxymerulidial is 264.14 g/mol.
Where can I buy 9alpha-Hydroxymerulidial?
You can request a quote for 9alpha-Hydroxymerulidial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9alpha-Hydroxymerulidial?
Yes, KEHONG BIO provides custom synthesis services for 9alpha-Hydroxymerulidial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.