Diethylstilbestrol monoglucuronide
TL;DR: Diethylstilbestrol monoglucuronide (CAS 2408-40-4) is a chemical compound with molecular formula C24H28O8 and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid
Also Known As: Diethylstilbestrol monoglucuronide, Diethyl Stilbestrol beta -D-Glucuronide, (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid, 4-[(1E)-1-Ethyl-2-(4-hydroxyphenyl)-1-buten-1-yl]phenyl beta-D-Glucopyranosiduronic Acid
| Molecular Formula | C24H28O8 |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 2.394 |
| Topological Polar Surface Area | 136.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1784 |
| Heavy Atoms | 32 |
| Complexity | 950.9694 |
Chemical Identifiers
| CAS Number | 2408-40-4 |
|---|---|
| SMILES | CC/C(=C(/CC)\C1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C3=CC=C(C=C3)O |
Product Overview
Diethylstilbestrol monoglucuronide (CAS 2408-40-4), with molecular formula C24H28O8 and molecular weight 444.18 g/mol. IUPAC: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid.
Chemical Property Profile of Diethylstilbestrol monoglucuronide
Property Insights of Diethylstilbestrol monoglucuronide
The XLogP value of 2.394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylstilbestrol monoglucuronide. The TPSA of 136.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethylstilbestrol monoglucuronide. Following Lipinski's Rule of Five, Diethylstilbestrol monoglucuronide has 5 hydrogen bond donor(s) and 7 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 Diethylstilbestrol monoglucuronide?
The CAS number of Diethylstilbestrol monoglucuronide is 2408-40-4.
What is the molecular formula of Diethylstilbestrol monoglucuronide?
The molecular formula of Diethylstilbestrol monoglucuronide is C24H28O8.
What is the molecular weight of Diethylstilbestrol monoglucuronide?
The molecular weight of Diethylstilbestrol monoglucuronide is 444.18 g/mol.
Where can I buy Diethylstilbestrol monoglucuronide?
You can request a quote for Diethylstilbestrol monoglucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylstilbestrol monoglucuronide?
Yes, KEHONG BIO provides custom synthesis services for Diethylstilbestrol monoglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.