RefChem:1064748
TL;DR: RefChem:1064748 (CAS 107788-17-0) is a chemical compound with molecular formula C27H25NO4S and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(E)-(2-oxopyrrolidin-3-ylidene)methyl]-6-(phenylsulfanylmethyl)phenyl] benzoate
Also Known As: 2-Pyrrolidinone, 3-((4-(benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)methylene)-, 3-((4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)methylene)-2-pyrrolidinone, [2-ethoxy-4-[(E)-(2-oxopyrrolidin-3-ylidene)methyl]-6-(phenylsulfanylmethyl)phenyl] benzoate, RefChem:1064748
| Molecular Formula | C27H25NO4S |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 5.5001 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.15042 |
| Heavy Atoms | 33 |
| Complexity | 1159.4987 |
Chemical Identifiers
| CAS Number | 107788-17-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)CSC3=CC=CC=C3)/C=C/4\CCNC4=O |
Product Overview
RefChem:1064748 (CAS 107788-17-0), with molecular formula C27H25NO4S and molecular weight 459.15 g/mol. IUPAC: [2-ethoxy-4-[(E)-(2-oxopyrrolidin-3-ylidene)methyl]-6-(phenylsulfanylmethyl)phenyl] benzoate.
Chemical Property Profile of RefChem:1064748
Property Insights of RefChem:1064748
The XLogP value of 5.5001 indicates that RefChem:1064748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064748. Following Lipinski's Rule of Five, RefChem:1064748 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064748?
The CAS number of RefChem:1064748 is 107788-17-0.
What is the molecular formula of RefChem:1064748?
The molecular formula of RefChem:1064748 is C27H25NO4S.
What is the molecular weight of RefChem:1064748?
The molecular weight of RefChem:1064748 is 459.15 g/mol.
Where can I buy RefChem:1064748?
You can request a quote for RefChem:1064748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064748?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.