Phyllnirurin
TL;DR: Phyllnirurin (CAS 120396-53-4) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
Also Known As: Phyllnirurin, 3-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, 5-Benzofuranpropanol, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-7-methoxy-3-methyl-, (2S-trans)-, 3-((2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol, 3-[(2S,3R)-2-benzo[1,3]dioxol-5-yl-7-methoxy-3-methyl-2,3-dihydrobenzofuran-5-yl]propan-1-ol
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 120396-53-4 |
|---|---|
| SMILES | C[C@@H]1[C@H](OC2=C1C=C(C=C2OC)CCCO)C3=CC4=C(C=C3)OCO4 |
| InChIKey | JJPULWMQUWTWAT-BUXKBTBVSA-N |
Product Overview
Phyllnirurin (CAS 120396-53-4), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: 3-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol.
Chemical Property Profile of Phyllnirurin
Property Insights of Phyllnirurin
The XLogP value of 3.5 indicates that Phyllnirurin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Phyllnirurin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phyllnirurin has 1 hydrogen bond donor(s) and 5 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 Phyllnirurin?
The CAS number of Phyllnirurin is 120396-53-4.
What is the molecular formula of Phyllnirurin?
The molecular formula of Phyllnirurin is C20H22O5.
What is the molecular weight of Phyllnirurin?
The molecular weight of Phyllnirurin is 342.15 g/mol.
Where can I buy Phyllnirurin?
You can request a quote for Phyllnirurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phyllnirurin?
Yes, KEHONG BIO provides custom synthesis services for Phyllnirurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.