X2YX7J5EMP
TL;DR: X2YX7J5EMP (CAS 5467-89-0) 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.
(2R,3S)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one
Also Known As: 5-20-01-00212 (Beilstein Handbook Reference), erythro-3-(m-Methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)valerophenone, (2r,3s)-3-(3-methoxyphenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pentan-1-one, Valerophenone, 3-(m-methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, erythro-, (2R,3S)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one
| Molecular Formula | C30H35NO3 |
|---|---|
| Molecular Weight | 457.26 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 457.2617 |
| Heavy Atoms | 34 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 5467-89-0 |
|---|---|
| SMILES | CC[C@H](C1=CC(=CC=C1)OC)[C@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OCCN4CCCC4 |
| InChIKey | ZAAGNEMTBMRION-WDYNHAJCSA-N |
Product Overview
X2YX7J5EMP (CAS 5467-89-0), with molecular formula C30H35NO3 and molecular weight 457.26 g/mol. IUPAC: (2R,3S)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one.
Chemical Property Profile of X2YX7J5EMP
Property Insights of X2YX7J5EMP
The XLogP value of 6.5 indicates that X2YX7J5EMP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, X2YX7J5EMP exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, X2YX7J5EMP 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 X2YX7J5EMP?
The CAS number of X2YX7J5EMP is 5467-89-0.
What is the molecular formula of X2YX7J5EMP?
The molecular formula of X2YX7J5EMP is C30H35NO3.
What is the molecular weight of X2YX7J5EMP?
The molecular weight of X2YX7J5EMP is 457.26 g/mol.
Where can I buy X2YX7J5EMP?
You can request a quote for X2YX7J5EMP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X2YX7J5EMP?
Yes, KEHONG BIO provides custom synthesis services for X2YX7J5EMP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.