4-Hydroxytamoxifen beta-glucuronide
TL;DR: 4-Hydroxytamoxifen beta-glucuronide (CAS 128255-45-8) is a chemical compound with molecular formula C32H37NO8 and molecular weight 563.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6S)-3-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
Also Known As: 4-Htbg, 4-Hydroxytamoxifen beta-glucuronide, (Z)-4-Hydroxy Tamoxifen O-EC-D-Glucuronide, (Z)-4-HYDROXY TAMOXIFEN O-BETA-D-GLUCURONIDE, (2S,3S,4R,5R,6S)-3-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
| Molecular Formula | C32H37NO8 |
|---|---|
| Molecular Weight | 563.25 g/mol |
| LogP | 3.2892 |
| Topological Polar Surface Area | 128.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 563.2519 |
| Heavy Atoms | 41 |
| Complexity | 1312.5442 |
Chemical Identifiers
| CAS Number | 128255-45-8 |
|---|---|
| SMILES | CC/C(=C(\C1=CC=C(C=C1)OCCN(C)C)/[C@@]2([C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)OC3=CC=CC=C3)O)O)O)/C4=CC=CC=C4 |
Product Overview
4-Hydroxytamoxifen beta-glucuronide (CAS 128255-45-8), with molecular formula C32H37NO8 and molecular weight 563.25 g/mol. IUPAC: (2S,3S,4R,5R,6S)-3-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid.
Chemical Property Profile of 4-Hydroxytamoxifen beta-glucuronide
Property Insights of 4-Hydroxytamoxifen beta-glucuronide
The XLogP value of 3.2892 indicates that 4-Hydroxytamoxifen beta-glucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxytamoxifen beta-glucuronide. Following Lipinski's Rule of Five, 4-Hydroxytamoxifen beta-glucuronide has 4 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 4-Hydroxytamoxifen beta-glucuronide?
The CAS number of 4-Hydroxytamoxifen beta-glucuronide is 128255-45-8.
What is the molecular formula of 4-Hydroxytamoxifen beta-glucuronide?
The molecular formula of 4-Hydroxytamoxifen beta-glucuronide is C32H37NO8.
What is the molecular weight of 4-Hydroxytamoxifen beta-glucuronide?
The molecular weight of 4-Hydroxytamoxifen beta-glucuronide is 563.25 g/mol.
Where can I buy 4-Hydroxytamoxifen beta-glucuronide?
You can request a quote for 4-Hydroxytamoxifen beta-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxytamoxifen beta-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxytamoxifen beta-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.