DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE
TL;DR: DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE (CAS 20776-63-0) is a chemical compound with molecular formula C14H10FN3O3S2 and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3-fluorophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile
Also Known As: DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE, 4H-Thieno(3,4-e)-1,2,4-thiadiazine-4-acetonitrile, 2-((3-fluorophenyl)methyl)-2,3-dihydro-3-oxo-, 1,1-dioxide, [2-(3-fluorobenzyl)-1,1-dioxido-3-oxo-2,3-dihydro-4h-thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile, 2-(2-((3-Fluorophenyl)methyl)-1,1,3-trioxothiopheno(3,4-e)1,2,4-thiadiazaperhydroin-4-yl)ethanenitrile, 1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der.
| Molecular Formula | C14H10FN3O3S2 |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.01477 |
| Heavy Atoms | 23 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 20776-63-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CN2C(=O)N(C3=CSC=C3S2(=O)=O)CC#N |
| InChIKey | FDCBGLBKYVKOHT-UHFFFAOYSA-N |
Product Overview
DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE (CAS 20776-63-0), with molecular formula C14H10FN3O3S2 and molecular weight 351.01 g/mol. IUPAC: 2-[2-[(3-fluorophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile.
Chemical Property Profile of DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE
Property Insights of DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE. Following Lipinski's Rule of Five, DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE has 0 hydrogen bond donor(s) and 6 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 DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE?
The CAS number of DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE is 20776-63-0.
What is the molecular formula of DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE?
The molecular formula of DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE is C14H10FN3O3S2.
What is the molecular weight of DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE?
The molecular weight of DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE is 351.01 g/mol.
Where can I buy DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE?
You can request a quote for DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE?
Yes, KEHONG BIO provides custom synthesis services for DIPHENYLCYCLOPROPEN-1-ONE MONOHYDRATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.