Buellolide
TL;DR: Buellolide (CAS 69799-33-3) is a chemical compound with molecular formula C18H15Cl3O6 and molecular weight 431.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methylphenoxy)-5-methoxy-3H-2-benzofuran-1-one
Also Known As: NCI60_003238, 4-chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methylphenoxy)-5-me, 4-Chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methylphenoxy)-5-methoxyisobenzofuran-1(3H)-one, 4-Chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methylphenoxy)-5-methoxy-2-benzofuran-1(3H)-one, 4-chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methylphenoxy)-5-methoxy-3H-2-benzofuran-1-one
| Molecular Formula | C18H15Cl3O6 |
|---|---|
| Molecular Weight | 431.99 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.9934 |
| Heavy Atoms | 27 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 69799-33-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)OC)Cl)OC)OC2=CC(=C(C3=C2C(=O)OC3)Cl)OC |
| InChIKey | OXWGVBMJMQGGEG-UHFFFAOYSA-N |
Product Overview
Buellolide (CAS 69799-33-3), with molecular formula C18H15Cl3O6 and molecular weight 431.99 g/mol. IUPAC: 4-chloro-7-(3,5-dichloro-2,4-dimethoxy-6-methylphenoxy)-5-methoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of Buellolide
Property Insights of Buellolide
The XLogP value of 5.0 indicates that Buellolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Buellolide. Following Lipinski's Rule of Five, Buellolide has 0 hydrogen bond donor(s) and 6 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 Buellolide?
The CAS number of Buellolide is 69799-33-3.
What is the molecular formula of Buellolide?
The molecular formula of Buellolide is C18H15Cl3O6.
What is the molecular weight of Buellolide?
The molecular weight of Buellolide is 431.99 g/mol.
Where can I buy Buellolide?
You can request a quote for Buellolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buellolide?
Yes, KEHONG BIO provides custom synthesis services for Buellolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.