2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide
TL;DR: 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide (CAS 297150-04-0) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylideneacetamide
Also Known As: 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide, 1-(benzylcarbamothioyl)-N-(5-methyl-1,2-oxazol-3-yl)formamide, AA-768/33245046, 2-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylideneacetamide
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 297150-04-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C(=S)NCC2=CC=CC=C2 |
| InChIKey | FHICBGMCDMDQNP-UHFFFAOYSA-N |
Product Overview
2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide (CAS 297150-04-0), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: 2-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide
Property Insights of 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide. Following Lipinski's Rule of Five, 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide has 2 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-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide?
The CAS number of 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide is 297150-04-0.
What is the molecular formula of 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide?
The molecular formula of 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide is C13H13N3O2S.
What is the molecular weight of 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide?
The molecular weight of 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide is 275.07 g/mol.
Where can I buy 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide?
You can request a quote for 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-(5-methyl-3-isoxazolyl)-2-thioxoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.