Mer-NF8054X
TL;DR: Mer-NF8054X (CAS 19422-08-3) is a chemical compound with molecular formula C28H42O5 and molecular weight 458.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one
Also Known As: Mer-NF8054X, Mer NF8054X, KST-1A2424, (5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one, 3,5,9,23-Tetrahydroxy-18,22-cycloergosta-6,8(14)-dien-11-one
| Molecular Formula | C28H42O5 |
|---|---|
| Molecular Weight | 458.30 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.30322 |
| Heavy Atoms | 33 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 19422-08-3 |
|---|---|
| SMILES | C[C@H]1[C@H]2CCC3=C4C=C[C@@]5(C[C@H](CC[C@@]5([C@@]4(C(=O)CC23C[C@H]1[C@H]([C@H](C)C(C)C)O)O)C)O)O |
| InChIKey | MUYUFHKTKLPWIW-OWPLYGPRSA-N |
Product Overview
Mer-NF8054X (CAS 19422-08-3), with molecular formula C28H42O5 and molecular weight 458.30 g/mol. IUPAC: (5R,6S,7R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one.
Chemical Property Profile of Mer-NF8054X
Property Insights of Mer-NF8054X
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mer-NF8054X. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mer-NF8054X. Following Lipinski's Rule of Five, Mer-NF8054X has 4 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 Mer-NF8054X?
The CAS number of Mer-NF8054X is 19422-08-3.
What is the molecular formula of Mer-NF8054X?
The molecular formula of Mer-NF8054X is C28H42O5.
What is the molecular weight of Mer-NF8054X?
The molecular weight of Mer-NF8054X is 458.30 g/mol.
Where can I buy Mer-NF8054X?
You can request a quote for Mer-NF8054X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mer-NF8054X?
Yes, KEHONG BIO provides custom synthesis services for Mer-NF8054X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.