Betulinan A
TL;DR: Betulinan A (CAS 55458-24-7) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethoxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
Also Known As: Betulinan A, Di-O-methylpolyporic acid, 2,5-dimethoxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione, 2,5-diphenyl-3,6-dimethoxy-p-benzoquinone, 2,5-Dimethoxy-3,6-diphenyl-1,4-benzoquinone
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 55458-24-7 |
|---|---|
| SMILES | COC1=C(C(=O)C(=C(C1=O)C2=CC=CC=C2)OC)C3=CC=CC=C3 |
| InChIKey | WEOWAYMMZVELOQ-UHFFFAOYSA-N |
Product Overview
Betulinan A (CAS 55458-24-7), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: 2,5-dimethoxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Betulinan A
Property Insights of Betulinan A
The XLogP value of 3.7 indicates that Betulinan A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Betulinan A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Betulinan A has 0 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 Betulinan A?
The CAS number of Betulinan A is 55458-24-7.
What is the molecular formula of Betulinan A?
The molecular formula of Betulinan A is C20H16O4.
What is the molecular weight of Betulinan A?
The molecular weight of Betulinan A is 320.10 g/mol.
Where can I buy Betulinan A?
You can request a quote for Betulinan A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betulinan A?
Yes, KEHONG BIO provides custom synthesis services for Betulinan A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.