Acremonidin A
TL;DR: Acremonidin A (CAS 701914-77-4) is a chemical compound with molecular formula C33H26O12 and molecular weight 614.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1R,2S,12S)-2-acetyloxy-7,9,14,16-tetrahydroxy-5-methyl-11-oxopentacyclo[10.7.2.01,10.03,8.013,18]henicosa-3(8),4,6,9,13,15,17,20-octaene-15-carbonyl]-3,6-dihydroxybenzoate
Also Known As: Acremonidin A, Acremonidins, EX-A10635, HY-N10198, J1.979.956E
| Molecular Formula | C33H26O12 |
|---|---|
| Molecular Weight | 614.14 g/mol |
| LogP | 3.89272 |
| Topological Polar Surface Area | 208.12 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 614.14246 |
| Heavy Atoms | 45 |
| Complexity | 1966.65 |
Chemical Identifiers
| CAS Number | 701914-77-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=C3C(=O)[C@H]4C=C[C@]3([C@H]2OC(=O)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O |
Product Overview
Acremonidin A (CAS 701914-77-4), with molecular formula C33H26O12 and molecular weight 614.14 g/mol. IUPAC: methyl 2-[(1R,2S,12S)-2-acetyloxy-7,9,14,16-tetrahydroxy-5-methyl-11-oxopentacyclo[10.7.2.01,10.03,8.013,18]henicosa-3(8),4,6,9,13,15,17,20-octaene-15-carbonyl]-3,6-dihydroxybenzoate.
Chemical Property Profile of Acremonidin A
Property Insights of Acremonidin A
The XLogP value of 3.89272 indicates that Acremonidin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.12 Ų indicates high polarity, suggesting Acremonidin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acremonidin A has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acremonidin A?
The CAS number of Acremonidin A is 701914-77-4.
What is the molecular formula of Acremonidin A?
The molecular formula of Acremonidin A is C33H26O12.
What is the molecular weight of Acremonidin A?
The molecular weight of Acremonidin A is 614.14 g/mol.
Where can I buy Acremonidin A?
You can request a quote for Acremonidin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acremonidin A?
Yes, KEHONG BIO provides custom synthesis services for Acremonidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.