![4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide structure](/static/products/530/530133-59-6.png)
4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide
TL;DR: 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide (CAS 530133-59-6) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]butanamide
Also Known As: 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide, 4-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}butanamide, 4-chloro-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide, 4-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]butanamide
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.5948 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 1019.0986 |
Chemical Identifiers
| CAS Number | 530133-59-6 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)CCCCl)O |
Product Overview
4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide (CAS 530133-59-6), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: 4-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]butanamide.
Chemical Property Profile of 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide
Property Insights of 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide
The XLogP value of 4.5948 indicates that 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide 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 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide. Following Lipinski's Rule of Five, 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide 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 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide?
The CAS number of 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide is 530133-59-6.
What is the molecular formula of 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide?
The molecular formula of 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide is C20H20ClN3O3S.
What is the molecular weight of 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide?
The molecular weight of 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide is 417.09 g/mol.
Where can I buy 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide?
You can request a quote for 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.