2-(2-羟乙基硫基)-3-甲基-1,4-萘醌
TL;DR: 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 (CAS 59147-84-1) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-羟乙基硫基)-3-甲基-1,4-萘醌
2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione
Also Known As: 2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione, Compound 5, Cpd5, cpd 5, CPD 5 (pharmaceutical)
| Molecular Formula | C13H12O3S |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.05072 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 59147-84-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO |
| InChIKey | MZIOEPIEDDJOPP-UHFFFAOYSA-N |
Product Overview
2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 (CAS 59147-84-1), with molecular formula C13H12O3S and molecular weight 248.05 g/mol. IUPAC: 2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione.
Chemical Property Profile of 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌
Property Insights of 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌. Following Lipinski's Rule of Five, 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 has 1 hydrogen bond donor(s) and 4 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 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌?
The CAS number of 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 is 59147-84-1.
What is the molecular formula of 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌?
The molecular formula of 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 is C13H12O3S.
What is the molecular weight of 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌?
The molecular weight of 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 is 248.05 g/mol.
Where can I buy 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌?
You can request a quote for 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-羟乙基硫基)-3-甲基-1,4-萘醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.