Macrocalyxoformin A
TL;DR: Macrocalyxoformin A (CAS 85287-58-7) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
Also Known As: Macrocalyxoformin A, 7-Hydroxy-2a-methyl-8-methylidenedodecahydro-2H,6H,12H-6a,9-methano-1,5,13-trioxacyclohepta[a]pentaleno[1,6-hi]naphthalen-6-one
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 85287-58-7 |
|---|---|
| SMILES | CC12CCC3C4(C1C(OC2)OC4)C5CCC6CC5(C(C6=C)O)C(=O)O3 |
| InChIKey | QALWKTNRDDDECH-UHFFFAOYSA-N |
Product Overview
Macrocalyxoformin A (CAS 85287-58-7), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: 7-hydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one.
Chemical Property Profile of Macrocalyxoformin A
Property Insights of Macrocalyxoformin A
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macrocalyxoformin A. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrocalyxoformin A. Following Lipinski's Rule of Five, Macrocalyxoformin A 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 Macrocalyxoformin A?
The CAS number of Macrocalyxoformin A is 85287-58-7.
What is the molecular formula of Macrocalyxoformin A?
The molecular formula of Macrocalyxoformin A is C20H26O5.
What is the molecular weight of Macrocalyxoformin A?
The molecular weight of Macrocalyxoformin A is 346.18 g/mol.
Where can I buy Macrocalyxoformin A?
You can request a quote for Macrocalyxoformin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrocalyxoformin A?
Yes, KEHONG BIO provides custom synthesis services for Macrocalyxoformin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.