Macrophyllin B
TL;DR: Macrophyllin B (CAS 74944-98-2) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5S,6R,7R)-4-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one
Also Known As: Macrophyllin B, (1S,4R,5S,6R,7R)-4-Hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one, (1S,4R,5S,6R,7R)-4-Hydroxy-1-methoxy-7-methyl-3-(prop-2-en-1-yl)-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one, 4-Hydroxy-1-methoxy-7-methyl-3-(prop-2-en-1-yl)-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 74944-98-2 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H]2[C@H](C(=C[C@@]1(C2=O)OC)CC=C)O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | NWXSUVZITFIXOL-SFFVMTGDSA-N |
Product Overview
Macrophyllin B (CAS 74944-98-2), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: (1S,4R,5S,6R,7R)-4-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-one.
Chemical Property Profile of Macrophyllin B
Property Insights of Macrophyllin B
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macrophyllin B. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrophyllin B. Following Lipinski's Rule of Five, Macrophyllin B has 1 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 Macrophyllin B?
The CAS number of Macrophyllin B is 74944-98-2.
What is the molecular formula of Macrophyllin B?
The molecular formula of Macrophyllin B is C22H28O6.
What is the molecular weight of Macrophyllin B?
The molecular weight of Macrophyllin B is 388.19 g/mol.
Where can I buy Macrophyllin B?
You can request a quote for Macrophyllin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrophyllin B?
Yes, KEHONG BIO provides custom synthesis services for Macrophyllin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.