奥美昔芬
TL;DR: 奥美昔芬 (CAS 78994-25-9) is a chemical compound with molecular formula C30H35NO3 and molecular weight 457.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥美昔芬
1-[2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine
Also Known As: Ormeloxifene, CENTCHROMAN, Ushercell, Cellulose Sulfate Gel, Sulfocellulose
| Molecular Formula | C30H35NO3 |
|---|---|
| Molecular Weight | 457.26 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.2617 |
| Heavy Atoms | 34 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 78994-25-9 |
|---|---|
| SMILES | CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C |
| InChIKey | XZEUAXYWNKYKPL-URLMMPGGSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥美昔芬 (CAS 78994-25-9), with molecular formula C30H35NO3 and molecular weight 457.26 g/mol. IUPAC: 1-[2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine.
Chemical Property Profile of 奥美昔芬
Property Insights of 奥美昔芬
The XLogP value of 6.2 indicates that 奥美昔芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, 奥美昔芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥美昔芬 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 奥美昔芬?
The CAS number of 奥美昔芬 is 78994-25-9.
What is the molecular formula of 奥美昔芬?
The molecular formula of 奥美昔芬 is C30H35NO3.
What is the molecular weight of 奥美昔芬?
The molecular weight of 奥美昔芬 is 457.26 g/mol.
Where can I buy 奥美昔芬?
You can request a quote for 奥美昔芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥美昔芬?
Yes, KEHONG BIO provides custom synthesis services for 奥美昔芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.