Diethylstilbestrol bisglucuronide
TL;DR: Diethylstilbestrol bisglucuronide (CAS 53915-13-2) is a chemical compound with molecular formula C30H36O14 and molecular weight 620.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[4-[(E)-4-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]hex-3-en-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Diethylstilbestrol bisglucuronide, Diethylstilbestrol diglucuronide, (2S,3S,4S,5R,6S)-6-[4-[(E)-4-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]hex-3-en-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, (1,2-diethyl-1,2-ethenediyl)di-4,1-phenylene bis-, (E)-, RefChem:133526
| Molecular Formula | C30H36O14 |
|---|---|
| Molecular Weight | 620.21 g/mol |
| LogP | -0.0406 |
| Topological Polar Surface Area | 232.9 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 620.2105 |
| Heavy Atoms | 44 |
| Complexity | 1224.7589 |
Chemical Identifiers
| CAS Number | 53915-13-2 |
|---|---|
| SMILES | CC/C(=C(/CC)\C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
Product Overview
Diethylstilbestrol bisglucuronide (CAS 53915-13-2), with molecular formula C30H36O14 and molecular weight 620.21 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[4-[(E)-4-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]hex-3-en-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Diethylstilbestrol bisglucuronide
Property Insights of Diethylstilbestrol bisglucuronide
The XLogP value of -0.0406 indicates that Diethylstilbestrol bisglucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.9 Ų indicates high polarity, suggesting Diethylstilbestrol bisglucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethylstilbestrol bisglucuronide has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethylstilbestrol bisglucuronide?
The CAS number of Diethylstilbestrol bisglucuronide is 53915-13-2.
What is the molecular formula of Diethylstilbestrol bisglucuronide?
The molecular formula of Diethylstilbestrol bisglucuronide is C30H36O14.
What is the molecular weight of Diethylstilbestrol bisglucuronide?
The molecular weight of Diethylstilbestrol bisglucuronide is 620.21 g/mol.
Where can I buy Diethylstilbestrol bisglucuronide?
You can request a quote for Diethylstilbestrol bisglucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylstilbestrol bisglucuronide?
Yes, KEHONG BIO provides custom synthesis services for Diethylstilbestrol bisglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.