N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide
TL;DR: N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide (CAS 69099-64-5) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(dimethylamino)ethyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
Also Known As: N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide, N-(2-(Dimethylamino)ethyl)-4H-thiochromeno[3,4-d]isoxazole-3-carboxamide, 4H-(1)BENZOTHIOPYRANO(3,4-D)ISOXAZOLE-3-CARBOXAMIDE, N-(2-(DIMETHYLAMINO)ETHYL)-, N-(2-dimethylaminoethyl)-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide, N-(2-dimethylaminoethyl)-4H-thiochromeno[3,4-d]isoxazole-3-carboxamide
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 69099-64-5 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=NOC2=C1CSC3=CC=CC=C32 |
| InChIKey | VIKOOGVNPNVGKW-UHFFFAOYSA-N |
Product Overview
N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide (CAS 69099-64-5), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: N-[2-(dimethylamino)ethyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide.
Chemical Property Profile of N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide
Property Insights of N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide. Following Lipinski's Rule of Five, N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide has 1 hydrogen bond donor(s) and 5 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 N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide?
The CAS number of N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide is 69099-64-5.
What is the molecular formula of N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide?
The molecular formula of N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide is C15H17N3O2S.
What is the molecular weight of N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide?
The molecular weight of N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide is 303.10 g/mol.
Where can I buy N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide?
You can request a quote for N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(Dimethylamino)ethyl)-4H-thiochromeno(3,4-d)isoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.