Oxyallobetulin
TL;DR: Oxyallobetulin (CAS 24035-70-9) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-23-one
Also Known As: Oxyallobetulin, LACTONE A, 3-Hydroxy-19,28-epoxyoleanan-28-one, 10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-23-one
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 24035-70-9 |
|---|---|
| SMILES | CC1(CCC23CCC4(C(C2C1OC3=O)CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C)C |
| InChIKey | BVJDDPRBYGBPKD-UHFFFAOYSA-N |
Product Overview
Oxyallobetulin (CAS 24035-70-9), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: 10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-23-one.
Chemical Property Profile of Oxyallobetulin
Property Insights of Oxyallobetulin
The XLogP value of 7.9 indicates that Oxyallobetulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Oxyallobetulin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxyallobetulin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxyallobetulin?
The CAS number of Oxyallobetulin is 24035-70-9.
What is the molecular formula of Oxyallobetulin?
The molecular formula of Oxyallobetulin is C30H48O3.
What is the molecular weight of Oxyallobetulin?
The molecular weight of Oxyallobetulin is 456.36 g/mol.
Where can I buy Oxyallobetulin?
You can request a quote for Oxyallobetulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyallobetulin?
Yes, KEHONG BIO provides custom synthesis services for Oxyallobetulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.