<13C>-methyl fluoride
TL;DR: <13C>-methyl fluoride (CAS 20776-55-0) is a chemical compound with molecular formula C14H13ClN2O3S2 and molecular weight 356.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methyl]-4-ethyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Also Known As: <13C>-methyl fluoride, 2H-Thieno(3,4-e)-1,2,4-thiadiazin-3(4H)-one, 2-((2-chlorophenyl)methyl)-4-ethyl-, 1,1-dioxide, 2-((2-Chlorophenyl)methyl)-4-ethylthiopheno(3,4-e)1,2,4-thiadiazaperhydroine-1,1,3-trione, 2-(2-chlorobenzyl)-4-ethyl-2h-thieno[3,4-e][1,2,4]thiadiazin-3(4h)-one 1,1-dioxide, 1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der.
| Molecular Formula | C14H13ClN2O3S2 |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0056 |
| Heavy Atoms | 22 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 20776-55-0 |
|---|---|
| SMILES | CCN1C2=CSC=C2S(=O)(=O)N(C1=O)CC3=CC=CC=C3Cl |
| InChIKey | JYGVCYDNTACEGU-UHFFFAOYSA-N |
Product Overview
<13C>-methyl fluoride (CAS 20776-55-0), with molecular formula C14H13ClN2O3S2 and molecular weight 356.01 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]-4-ethyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one.
Chemical Property Profile of <13C>-methyl fluoride
Property Insights of <13C>-methyl fluoride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for <13C>-methyl fluoride. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for <13C>-methyl fluoride. Following Lipinski's Rule of Five, <13C>-methyl fluoride has 0 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 <13C>-methyl fluoride?
The CAS number of <13C>-methyl fluoride is 20776-55-0.
What is the molecular formula of <13C>-methyl fluoride?
The molecular formula of <13C>-methyl fluoride is C14H13ClN2O3S2.
What is the molecular weight of <13C>-methyl fluoride?
The molecular weight of <13C>-methyl fluoride is 356.01 g/mol.
Where can I buy <13C>-methyl fluoride?
You can request a quote for <13C>-methyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for <13C>-methyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for <13C>-methyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.