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 蛇孢假壳素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, 蛇孢假壳素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 蛇孢假壳素A?
The CAS number of 蛇孢假壳素A is 4611-05-6.
What is the molecular formula of 蛇孢假壳素A?
The molecular formula of 蛇孢假壳素A is C25H36O4.
What is the molecular weight of 蛇孢假壳素A?
The molecular weight of 蛇孢假壳素A is 400.26 g/mol.
Where can I buy 蛇孢假壳素A?
You can request a quote for 蛇孢假壳素A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蛇孢假壳素A?
Yes, KEHONG BIO provides custom synthesis services for 蛇孢假壳素A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.