![N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide structure](/static/products/6946/6946-44-7.webp)
N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide
TL;DR: N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide (CAS 6946-44-7) is a chemical compound with molecular formula C19H18BrN3O3S and molecular weight 447.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide
Also Known As: N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide, N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide
| Molecular Formula | C19H18BrN3O3S |
|---|---|
| Molecular Weight | 447.03 g/mol |
| LogP | 4.822 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.02524 |
| Heavy Atoms | 27 |
| Complexity | 1016.60254 |
Chemical Identifiers
| CAS Number | 6946-44-7 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)O)Br |
Product Overview
N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide (CAS 6946-44-7), with molecular formula C19H18BrN3O3S and molecular weight 447.03 g/mol. IUPAC: N-[[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide.
Chemical Property Profile of N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide
Property Insights of N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide
The XLogP value of 4.822 indicates that N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]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-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide. Following Lipinski's Rule of Five, N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]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-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide?
The CAS number of N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide is 6946-44-7.
What is the molecular formula of N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide?
The molecular formula of N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide is C19H18BrN3O3S.
What is the molecular weight of N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide?
The molecular weight of N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide is 447.03 g/mol.
Where can I buy N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide?
You can request a quote for N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]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-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.