![3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea structure](/static/products/3967/396724-85-9.webp)
3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea
TL;DR: 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea (CAS 396724-85-9) is a chemical compound with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
Also Known As: 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea, F0779-0272, N-((4-(benzo[d]thiazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3,5-dimethoxybenzamide, N-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide, N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,5-dimethoxybenzamide
| Molecular Formula | C23H19N3O4S2 |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 4.8129 |
| Topological Polar Surface Area | 92.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.0817 |
| Heavy Atoms | 32 |
| Complexity | 1264.5979 |
Chemical Identifiers
| CAS Number | 396724-85-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)O)OC |
Product Overview
3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea (CAS 396724-85-9), with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol. IUPAC: N-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide.
Chemical Property Profile of 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea
Property Insights of 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea
The XLogP value of 4.8129 indicates that 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea. Following Lipinski's Rule of Five, 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea has 3 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-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea?
The CAS number of 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea is 396724-85-9.
What is the molecular formula of 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea?
The molecular formula of 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea is C23H19N3O4S2.
What is the molecular weight of 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea?
The molecular weight of 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea is 465.08 g/mol.
Where can I buy 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea?
You can request a quote for 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-1-(3,5-dimethoxybenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.