Macfarlandin A
TL;DR: Macfarlandin A (CAS 102396-21-4) is a chemical compound with molecular formula C21H26O5 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-7-acetyl-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-1-yl] acetate
Also Known As: MACFARLANDIN A, KST-1A0520, m-Acetamidobenzolsulfonsaeurefluorid, (1s)-7-acetyl-3-oxo-6-[(1s)-1,3,3-trimethylcyclohexyl]-1,3-dihydro-2-benzofuran-1-yl acetate, [(1S)-7-acetyl-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-1-yl] acetate
| Molecular Formula | C21H26O5 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.178 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 102396-21-4 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC2=C1[C@H](OC2=O)OC(=O)C)[C@]3(CCCC(C3)(C)C)C |
| InChIKey | OMNZZWDXPDXHHJ-FPOVZHCZSA-N |
Product Overview
Macfarlandin A (CAS 102396-21-4), with molecular formula C21H26O5 and molecular weight 358.18 g/mol. IUPAC: [(1S)-7-acetyl-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-1-yl] acetate.
Chemical Property Profile of Macfarlandin A
Property Insights of Macfarlandin A
The XLogP value of 4.8 indicates that Macfarlandin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Macfarlandin A. Following Lipinski's Rule of Five, Macfarlandin A has 0 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 Macfarlandin A?
The CAS number of Macfarlandin A is 102396-21-4.
What is the molecular formula of Macfarlandin A?
The molecular formula of Macfarlandin A is C21H26O5.
What is the molecular weight of Macfarlandin A?
The molecular weight of Macfarlandin A is 358.18 g/mol.
Where can I buy Macfarlandin A?
You can request a quote for Macfarlandin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macfarlandin A?
Yes, KEHONG BIO provides custom synthesis services for Macfarlandin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.