8-O-Methyltetrangulol
TL;DR: 8-O-Methyltetrangulol (CAS 85178-50-3) is a chemical compound with molecular formula C20H14O4 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-8-methoxy-3-methylbenzo[a]anthracene-7,12-dione
Also Known As: 8-O-Methyltetrangulol, Tetrangulol methyl ether, Antibiotic X-14881E, X-14881E; Tetrangulol methyl ether, X-14881E
| Molecular Formula | C20H14O4 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.0892 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 85178-50-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4OC |
| InChIKey | YCYXQISGHUDFRO-UHFFFAOYSA-N |
Product Overview
8-O-Methyltetrangulol (CAS 85178-50-3), with molecular formula C20H14O4 and molecular weight 318.09 g/mol. IUPAC: 1-hydroxy-8-methoxy-3-methylbenzo[a]anthracene-7,12-dione.
Chemical Property Profile of 8-O-Methyltetrangulol
Property Insights of 8-O-Methyltetrangulol
The XLogP value of 4.1 indicates that 8-O-Methyltetrangulol 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 8-O-Methyltetrangulol. Following Lipinski's Rule of Five, 8-O-Methyltetrangulol 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 8-O-Methyltetrangulol?
The CAS number of 8-O-Methyltetrangulol is 85178-50-3.
What is the molecular formula of 8-O-Methyltetrangulol?
The molecular formula of 8-O-Methyltetrangulol is C20H14O4.
What is the molecular weight of 8-O-Methyltetrangulol?
The molecular weight of 8-O-Methyltetrangulol is 318.09 g/mol.
Where can I buy 8-O-Methyltetrangulol?
You can request a quote for 8-O-Methyltetrangulol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-O-Methyltetrangulol?
Yes, KEHONG BIO provides custom synthesis services for 8-O-Methyltetrangulol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.