![N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide structure](/static/products/842/842967-71-9.png)
N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide
TL;DR: N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide (CAS 842967-71-9) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3-methylbutanamide
Also Known As: N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide, 2-(1,3-benzoxazol-3-ium-2-yl)-4-{[(3-methylbutanoyl)carbamothioyl]amino}phenolate, N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methylbutanamide, N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methylbutanamide
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 4.0595 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 932.5727 |
Chemical Identifiers
| CAS Number | 842967-71-9 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)O)C2=NC3=CC=CC=C3O2 |
Product Overview
N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide (CAS 842967-71-9), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3-methylbutanamide.
Chemical Property Profile of N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide
Property Insights of N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide
The XLogP value of 4.0595 indicates that N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide. Following Lipinski's Rule of Five, N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide has 3 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-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide?
The CAS number of N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide is 842967-71-9.
What is the molecular formula of N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide?
The molecular formula of N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide is C19H19N3O3S.
What is the molecular weight of N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide?
The molecular weight of N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide is 369.11 g/mol.
Where can I buy N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide?
You can request a quote for N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.