Annularin A
TL;DR: Annularin A (CAS 628302-54-5) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methylpyran-2-one
Also Known As: Annularin A, 2H-pyran-2-one, 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-, J1.966.997A, 6-(1-Hydroxy-propyl)-4-methoxy-5-methyl-pyran-2-one, 6-(1-hydroxypropyl)-4-methoxy-5-methyl-2H-pyran-2-one
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 628302-54-5 |
|---|---|
| SMILES | CC[C@@H](C1=C(C(=CC(=O)O1)OC)C)O |
| InChIKey | PMAGWBXRCQWPNQ-ZETCQYMHSA-N |
Product Overview
Annularin A (CAS 628302-54-5), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methylpyran-2-one.
Chemical Property Profile of Annularin A
Property Insights of Annularin A
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Annularin A. With a topological polar surface area (TPSA) of 55.8 Ų, Annularin A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Annularin A has 1 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 Annularin A?
The CAS number of Annularin A is 628302-54-5.
What is the molecular formula of Annularin A?
The molecular formula of Annularin A is C10H14O4.
What is the molecular weight of Annularin A?
The molecular weight of Annularin A is 198.09 g/mol.
Where can I buy Annularin A?
You can request a quote for Annularin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Annularin A?
Yes, KEHONG BIO provides custom synthesis services for Annularin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.