RefChem:1064747
TL;DR: RefChem:1064747 (CAS 107788-16-9) is a chemical compound with molecular formula C22H25NO4S and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[[3-ethoxy-4-methoxy-5-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methylidene]pyrrolidin-2-one
Also Known As: 3-((3-Ethoxy-4-methoxy-5-(((4-methoxyphenyl)thio)methyl)phenyl)methylene)-2-pyrrolidinone, 2-Pyrrolidinone, 3-((3-ethoxy-4-methoxy-5-(((4-methoxyphenyl)thio)methyl)phenyl)methylene)-, (3E)-3-[[3-ethoxy-4-methoxy-5-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methylidene]pyrrolidin-2-one, RefChem:1064747
| Molecular Formula | C22H25NO4S |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 4.2981 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.15042 |
| Heavy Atoms | 28 |
| Complexity | 861.58563 |
Chemical Identifiers
| CAS Number | 107788-16-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OC)CSC2=CC=C(C=C2)OC)/C=C/3\CCNC3=O |
Product Overview
RefChem:1064747 (CAS 107788-16-9), with molecular formula C22H25NO4S and molecular weight 399.15 g/mol. IUPAC: (3E)-3-[[3-ethoxy-4-methoxy-5-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methylidene]pyrrolidin-2-one.
Chemical Property Profile of RefChem:1064747
Property Insights of RefChem:1064747
The XLogP value of 4.2981 indicates that RefChem:1064747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, RefChem:1064747 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1064747 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064747?
The CAS number of RefChem:1064747 is 107788-16-9.
What is the molecular formula of RefChem:1064747?
The molecular formula of RefChem:1064747 is C22H25NO4S.
What is the molecular weight of RefChem:1064747?
The molecular weight of RefChem:1064747 is 399.15 g/mol.
Where can I buy RefChem:1064747?
You can request a quote for RefChem:1064747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064747?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.