rottlerin
TL;DR: rottlerin (CAS 82-08-6) is a chemical compound with molecular formula C30H28O8 and molecular weight 516.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
Also Known As: rottlerin, Mallotoxin, KBio2_000420, KBio2_002988, KBio2_005556
| Molecular Formula | C30H28O8 |
|---|---|
| Molecular Weight | 516.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.1784 |
| Heavy Atoms | 38 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 82-08-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)O |
| InChIKey | DEZFNHCVIZBHBI-UHFFFAOYSA-N |
Product Overview
rottlerin (CAS 82-08-6), with molecular formula C30H28O8 and molecular weight 516.18 g/mol. IUPAC: 1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one.
Chemical Property Profile of rottlerin
Property Insights of rottlerin
The XLogP value of 5.9 indicates that rottlerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting rottlerin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, rottlerin has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rottlerin?
The CAS number of rottlerin is 82-08-6.
What is the molecular formula of rottlerin?
The molecular formula of rottlerin is C30H28O8.
What is the molecular weight of rottlerin?
The molecular weight of rottlerin is 516.18 g/mol.
Where can I buy rottlerin?
You can request a quote for rottlerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rottlerin?
Yes, KEHONG BIO provides custom synthesis services for rottlerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.