![N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide structure](/static/products/531/531516-07-1.png)
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide
TL;DR: N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide (CAS 531516-07-1) is a chemical compound with molecular formula C25H23N3O3S2 and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-butan-2-yloxybenzamide
Also Known As: N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide, N-((3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-4-(sec-butoxy)benzamide, N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-butan-2-yloxybenzamide, N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-butan-2-yloxybenzamide
| Molecular Formula | C25H23N3O3S2 |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 5.973 |
| Topological Polar Surface Area | 83.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.11807 |
| Heavy Atoms | 33 |
| Complexity | 1269.0084 |
Chemical Identifiers
| CAS Number | 531516-07-1 |
|---|---|
| SMILES | CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3 |
Product Overview
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide (CAS 531516-07-1), with molecular formula C25H23N3O3S2 and molecular weight 477.12 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-butan-2-yloxybenzamide.
Chemical Property Profile of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide
Property Insights of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide
The XLogP value of 5.973 indicates that N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide. Following Lipinski's Rule of Five, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide?
The CAS number of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide is 531516-07-1.
What is the molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide?
The molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide is C25H23N3O3S2.
What is the molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide?
The molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide is 477.12 g/mol.
Where can I buy N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide?
You can request a quote for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-(butan-2-yloxy)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.