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1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea
TL;DR: 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea (CAS 58248-48-9) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-phenylurea
Also Known As: AB00666969-01, F0174-0270, 3-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylurea, 1-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea, 1-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-phenylurea
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 3.9422 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 722.2471 |
Chemical Identifiers
| CAS Number | 58248-48-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)NC3=CC=CC=C3)C |
Product Overview
1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea (CAS 58248-48-9), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 1-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-phenylurea.
Chemical Property Profile of 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea
Property Insights of 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea
The XLogP value of 3.9422 indicates that 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea has 2 hydrogen bond donor(s) and 4 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 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea?
The CAS number of 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea is 58248-48-9.
What is the molecular formula of 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea?
The molecular formula of 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea is C16H17N3O2S.
What is the molecular weight of 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea?
The molecular weight of 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea is 315.10 g/mol.
Where can I buy 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea?
You can request a quote for 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.