雷洛昔芬
TL;DR: 雷洛昔芬 (CAS 84449-90-1) is a chemical compound with molecular formula C28H27NO4S and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雷洛昔芬
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
Also Known As: raloxifene, Keoxifene, Raloxifeno, Raloxifenum, Evista
| Molecular Formula | C28H27NO4S |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.16608 |
| Heavy Atoms | 34 |
| Complexity | 655.0 |
| Melting Point | 268-272 |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 84449-90-1 |
|---|---|
| SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
| InChIKey | GZUITABIAKMVPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
雷洛昔芬 (CAS 84449-90-1), with molecular formula C28H27NO4S and molecular weight 473.17 g/mol. IUPAC: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
Chemical Property Profile of 雷洛昔芬
Property Insights of 雷洛昔芬
The XLogP value of 6.1 indicates that 雷洛昔芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 雷洛昔芬. Following Lipinski's Rule of Five, 雷洛昔芬 has 2 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 雷洛昔芬?
The CAS number of 雷洛昔芬 is 84449-90-1.
What is the molecular formula of 雷洛昔芬?
The molecular formula of 雷洛昔芬 is C28H27NO4S.
What is the molecular weight of 雷洛昔芬?
The molecular weight of 雷洛昔芬 is 473.17 g/mol.
Where can I buy 雷洛昔芬?
You can request a quote for 雷洛昔芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雷洛昔芬?
Yes, KEHONG BIO provides custom synthesis services for 雷洛昔芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.