Premarrubiin
TL;DR: Premarrubiin (CAS 28857-09-2) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Premarrubiin, (-)-Premarrubiin, 17alpha-Estradiol-3-glucoside, KST-1A3487, (2a''s,3r,5'r,5a''s,7''r,8a''r,8b''r)-2a'',5a'',7''-trimethyl-3',3'',4',4'',5'',5a'',7'',8'',8a'',8b''-decahydrodispiro[furan-3,2'-furan-5',6''-naphtho[1,8-bc]furan]-2''(2a''h)-one
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 28857-09-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@@]14CC[C@]5(O4)COC=C5)C)(C(=O)O2)C |
| InChIKey | OQLCWZJEAYGVQE-TXWGWWACSA-N |
Product Overview
Premarrubiin (CAS 28857-09-2), with molecular formula C20H28O4 and molecular weight 332.20 g/mol.
Chemical Property Profile of Premarrubiin
Property Insights of Premarrubiin
The XLogP value of 3.3 indicates that Premarrubiin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Premarrubiin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Premarrubiin 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 Premarrubiin?
The CAS number of Premarrubiin is 28857-09-2.
What is the molecular formula of Premarrubiin?
The molecular formula of Premarrubiin is C20H28O4.
What is the molecular weight of Premarrubiin?
The molecular weight of Premarrubiin is 332.20 g/mol.
Where can I buy Premarrubiin?
You can request a quote for Premarrubiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Premarrubiin?
Yes, KEHONG BIO provides custom synthesis services for Premarrubiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.