蛇孢假壳素A
TL;DR: 蛇孢假壳素A (CAS 4611-05-6) is a chemical compound with molecular formula C25H36O4 and molecular weight 400.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蛇孢假壳素A
4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde
Also Known As: Ophiobolin A, Cochliobolin A, NCI60_000315, 4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxo-spiro[tetrahydrofuran-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde, 4'-Hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde
| Molecular Formula | C25H36O4 |
|---|---|
| Molecular Weight | 400.26 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.26135 |
| Heavy Atoms | 29 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 4611-05-6 |
|---|---|
| SMILES | CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(CC4=O)(C)O)C=O)C)C=C(C)C |
| InChIKey | MWYYLZRWWNBROW-UHFFFAOYSA-N |
Product Overview
蛇孢假壳素A (CAS 4611-05-6), with molecular formula C25H36O4 and molecular weight 400.26 g/mol. IUPAC: 4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde.
Chemical Property Profile of 蛇孢假壳素A
Property Insights of 蛇孢假壳素A
The XLogP value of 3.5 indicates that Ophiobolin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 蛇孢假壳素A. Following Lipinski's Rule of Five, Ophiobolin A has 1 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 Ophiobolin A?
The CAS number of Ophiobolin A is 4611-05-6.
What is the molecular formula of Ophiobolin A?
The molecular formula of Ophiobolin A is C25H36O4.
What is the molecular weight of Ophiobolin A?
The molecular weight of Ophiobolin A is 400.26 g/mol.
Where can I buy Ophiobolin A?
You can request a quote for Ophiobolin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ophiobolin A?
Yes, KEHONG BIO provides custom synthesis services for Ophiobolin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.