![3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide structure](/static/products/1164/1164541-48-3.webp)
3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide
TL;DR: 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide (CAS 1164541-48-3) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(dimethylamino)prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
Also Known As: 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide, 3-[3-(dimethylamino)prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 1.94982 |
| Topological Polar Surface Area | 88.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 673.65765 |
Chemical Identifiers
| CAS Number | 1164541-48-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)C=CN(C)C)C(=O)NC2=NC=CS2 |
Product Overview
3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide (CAS 1164541-48-3), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 3-[3-(dimethylamino)prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide
Property Insights of 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide
The XLogP value of 1.94982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide. The TPSA of 88.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide. Following Lipinski's Rule of Five, 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide has 1 hydrogen bond donor(s) and 7 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 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide?
The CAS number of 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide is 1164541-48-3.
What is the molecular formula of 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide?
The molecular formula of 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide is C13H14N4O3S.
What is the molecular weight of 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide?
The molecular weight of 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide is 306.08 g/mol.
Where can I buy 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide?
You can request a quote for 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(dimethylamino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.