Phyllamyricin B
TL;DR: Phyllamyricin B (CAS 164124-33-8) is a chemical compound with molecular formula C22H20O6 and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)naphthalene-2-carbaldehyde
Also Known As: Phyllamyricin B, Phyllamycin B, 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)naphthalene-2-carbaldehyde, 1-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)naphthalene-2-carbaldehyde, 1-(2H-Benzo[3,4-d]1,3-dioxolen-5-yl)-6,7-dimethoxy-3-(methoxymethyl)naphthalene-2-carbaldehyde
| Molecular Formula | C22H20O6 |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.12598 |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 164124-33-8 |
|---|---|
| SMILES | COCC1=C(C(=C2C=C(C(=CC2=C1)OC)OC)C3=CC4=C(C=C3)OCO4)C=O |
| InChIKey | OAJXGLZYGJVAHO-UHFFFAOYSA-N |
Product Overview
Phyllamyricin B (CAS 164124-33-8), with molecular formula C22H20O6 and molecular weight 380.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)naphthalene-2-carbaldehyde.
Chemical Property Profile of Phyllamyricin B
Property Insights of Phyllamyricin B
The XLogP value of 3.7 indicates that Phyllamyricin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phyllamyricin B. Following Lipinski's Rule of Five, Phyllamyricin B has 0 hydrogen bond donor(s) and 6 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 Phyllamyricin B?
The CAS number of Phyllamyricin B is 164124-33-8.
What is the molecular formula of Phyllamyricin B?
The molecular formula of Phyllamyricin B is C22H20O6.
What is the molecular weight of Phyllamyricin B?
The molecular weight of Phyllamyricin B is 380.13 g/mol.
Where can I buy Phyllamyricin B?
You can request a quote for Phyllamyricin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phyllamyricin B?
Yes, KEHONG BIO provides custom synthesis services for Phyllamyricin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.