Emd 16795
TL;DR: Emd 16795 (CAS 13619-98-2) is a chemical compound with molecular formula C28H29NO3 and molecular weight 427.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-(7-methoxy-3-phenyl-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
Also Known As: Emd 16795, 1-(2-(4-(7-Methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine, 3-Phenyl-4-(p-(beta-pyrrolidinoethoxy)phenyl)-7-methoxychromene, Pyrrolidine, 1-(2-(4-(7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, 1-[2-[4-(7-methoxy-3-phenyl-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
| Molecular Formula | C28H29NO3 |
|---|---|
| Molecular Weight | 427.21 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.21475 |
| Heavy Atoms | 32 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 13619-98-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(CO2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5 |
| InChIKey | UYFNTTSLCDBZMY-UHFFFAOYSA-N |
Product Overview
Emd 16795 (CAS 13619-98-2), with molecular formula C28H29NO3 and molecular weight 427.21 g/mol. IUPAC: 1-[2-[4-(7-methoxy-3-phenyl-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine.
Chemical Property Profile of Emd 16795
Property Insights of Emd 16795
The XLogP value of 5.1 indicates that Emd 16795 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, Emd 16795 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emd 16795 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 Emd 16795?
The CAS number of Emd 16795 is 13619-98-2.
What is the molecular formula of Emd 16795?
The molecular formula of Emd 16795 is C28H29NO3.
What is the molecular weight of Emd 16795?
The molecular weight of Emd 16795 is 427.21 g/mol.
Where can I buy Emd 16795?
You can request a quote for Emd 16795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emd 16795?
Yes, KEHONG BIO provides custom synthesis services for Emd 16795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.