Tamoxifen N-beta-D-glucosiduronic acid
TL;DR: Tamoxifen N-beta-D-glucosiduronic acid (CAS 794450-92-3) is a chemical compound with molecular formula C32H38NO7+ and molecular weight 548.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethylazanium
Also Known As: tamoxifen N-glucuronide, Tamoxifen-N-glucuronide, tamoxifen N-beta-D-glucosiduronic acid, Tamoxifen N-beta-D-Glucuronide, (E,Z)-Tamoxifen N- beta -D-Glucuronide
| Molecular Formula | C32H38NO7+ |
|---|---|
| Molecular Weight | 548.26 g/mol |
| LogP | 3.4031 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.26483 |
| Heavy Atoms | 40 |
| Complexity | 1291.8589 |
Chemical Identifiers
| CAS Number | 794450-92-3 |
|---|---|
| SMILES | CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/C4=CC=CC=C4 |
Product Overview
Tamoxifen N-beta-D-glucosiduronic acid (CAS 794450-92-3), with molecular formula C32H38NO7+ and molecular weight 548.26 g/mol. IUPAC: [(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-dimethylazanium.
Chemical Property Profile of Tamoxifen N-beta-D-glucosiduronic acid
Property Insights of Tamoxifen N-beta-D-glucosiduronic acid
The XLogP value of 3.4031 indicates that Tamoxifen N-beta-D-glucosiduronic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Tamoxifen N-beta-D-glucosiduronic acid. Following Lipinski's Rule of Five, Tamoxifen N-beta-D-glucosiduronic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tamoxifen N-beta-D-glucosiduronic acid?
The CAS number of Tamoxifen N-beta-D-glucosiduronic acid is 794450-92-3.
What is the molecular formula of Tamoxifen N-beta-D-glucosiduronic acid?
The molecular formula of Tamoxifen N-beta-D-glucosiduronic acid is C32H38NO7+.
What is the molecular weight of Tamoxifen N-beta-D-glucosiduronic acid?
The molecular weight of Tamoxifen N-beta-D-glucosiduronic acid is 548.26 g/mol.
Where can I buy Tamoxifen N-beta-D-glucosiduronic acid?
You can request a quote for Tamoxifen N-beta-D-glucosiduronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tamoxifen N-beta-D-glucosiduronic acid?
Yes, KEHONG BIO provides custom synthesis services for Tamoxifen N-beta-D-glucosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.