丁香脂素
TL;DR: 丁香脂素 (CAS 487-35-4) is a chemical compound with molecular formula C22H26O8 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁香脂素
4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
Also Known As: (+)-Syringaresinol, Syringaresinol, DL-Syringaresinol, (+)-lirioresinol B, syringarenol
| Molecular Formula | C22H26O8 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.16278 |
| Heavy Atoms | 30 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 487-35-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O)OC |
| InChIKey | KOWMJRJXZMEZLD-HCIHMXRSSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁香脂素 (CAS 487-35-4), with molecular formula C22H26O8 and molecular weight 418.16 g/mol. IUPAC: 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol.
Chemical Property Profile of 丁香脂素
Property Insights of 丁香脂素
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁香脂素. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁香脂素. Following Lipinski's Rule of Five, 丁香脂素 has 2 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 丁香脂素?
The CAS number of 丁香脂素 is 487-35-4.
What is the molecular formula of 丁香脂素?
The molecular formula of 丁香脂素 is C22H26O8.
What is the molecular weight of 丁香脂素?
The molecular weight of 丁香脂素 is 418.16 g/mol.
Where can I buy 丁香脂素?
You can request a quote for 丁香脂素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁香脂素?
Yes, KEHONG BIO provides custom synthesis services for 丁香脂素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.