Macrophorin A
TL;DR: Macrophorin A (CAS 85754-70-7) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Also Known As: Macrophorin A, 2-Deoxy-2-fluoroglucopyranosyl fluoride, 7-Oxabicyclo(4.1.0)hept-3-en-2-one, 1-(((1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methyl)-5-hydroxy-4-(hydroxymethyl)-, (1R,5R,6R)-, (1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one, (1R,2R,6R)-6-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 85754-70-7 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C[C@]34[C@H](O3)[C@@H](C(=CC4=O)CO)O)(C)C |
| InChIKey | OOIYDCZXWGFDDL-VKUFQHAMSA-N |
Product Overview
Macrophorin A (CAS 85754-70-7), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: (1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one.
Chemical Property Profile of Macrophorin A
Property Insights of Macrophorin A
The XLogP value of 3.2 indicates that Macrophorin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrophorin A. Following Lipinski's Rule of Five, Macrophorin A has 2 hydrogen bond donor(s) and 4 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 Macrophorin A?
The CAS number of Macrophorin A is 85754-70-7.
What is the molecular formula of Macrophorin A?
The molecular formula of Macrophorin A is C22H32O4.
What is the molecular weight of Macrophorin A?
The molecular weight of Macrophorin A is 360.23 g/mol.
Where can I buy Macrophorin A?
You can request a quote for Macrophorin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrophorin A?
Yes, KEHONG BIO provides custom synthesis services for Macrophorin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.