RefChem:1058733
TL;DR: RefChem:1058733 (CAS 107803-27-0) is a chemical compound with molecular formula C18H15NO6S and molecular weight 373.062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-[[3,4-dihydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]methylidene]oxolan-2-one
Also Known As: 1,4-ClMe2SiC6H4SiMe2Cl, Dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-2(3H)-furanone, (3E)-3-[[3,4-dihydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]methylidene]oxolan-2-one, 2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-, 2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)meth yl)phenyl)methylene)-
Technical Specifications
| Molecular Formula | C18H15NO6S |
| Molecular Weight | 373.062 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.062 Da |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
| SMILES | C\1COC(=O)/C1=C/C2=CC(=C(C(=C2)O)O)CSC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | IBPQZZQVKYXRLG-KPKJPENVSA-N |
Chemical Property Profile of RefChem:1058733
Property Insights of RefChem:1058733
The XLogP value of 3.4 indicates that RefChem:1058733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058733. Following Lipinski's Rule of Five, RefChem:1058733 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1058733?
The CAS number of RefChem:1058733 is 107803-27-0.
What is the molecular formula of RefChem:1058733?
The molecular formula of RefChem:1058733 is C18H15NO6S.
What is the molecular weight of RefChem:1058733?
The molecular weight of RefChem:1058733 is 373.062 g/mol.
Where can I buy RefChem:1058733?
You can request a quote for RefChem:1058733 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058733?
Yes, CoreyChem provides custom synthesis services for RefChem:1058733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.