Aciculatin
TL;DR: Aciculatin (CAS 134044-97-6) is a chemical compound with molecular formula C22H22O8 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Also Known As: Aciculatin, SID:135653519, 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one, 8-(2,6-Dideoxy-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one sesquihydrate, (1S)-1,5-Anhydro-2,6-dideoxy-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-8-yl]-D-ribo-hexitol
| Molecular Formula | C22H22O8 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.13147 |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 134044-97-6 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@H](O1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)OC)O)O |
| InChIKey | RUTGHCUXABPJTJ-VAXHSPNUSA-N |
Product Overview
Aciculatin (CAS 134044-97-6), with molecular formula C22H22O8 and molecular weight 414.13 g/mol. IUPAC: 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one.
Chemical Property Profile of Aciculatin
Property Insights of Aciculatin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aciculatin. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aciculatin. Following Lipinski's Rule of Five, Aciculatin has 4 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 Aciculatin?
The CAS number of Aciculatin is 134044-97-6.
What is the molecular formula of Aciculatin?
The molecular formula of Aciculatin is C22H22O8.
What is the molecular weight of Aciculatin?
The molecular weight of Aciculatin is 414.13 g/mol.
Where can I buy Aciculatin?
You can request a quote for Aciculatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aciculatin?
Yes, KEHONG BIO provides custom synthesis services for Aciculatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.