![1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea structure](/static/products/535/535956-71-9.png)
1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea
TL;DR: 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea (CAS 535956-71-9) is a chemical compound with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
Also Known As: 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea, N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide, N-((2-methyl-5-(5-methylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)thiophene-2-carboxamide, N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]thiophene-2-carboxamide, N-{[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
| Molecular Formula | C21H17N3O2S2 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 5.29994 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.07623 |
| Heavy Atoms | 28 |
| Complexity | 1179.8142 |
Chemical Identifiers
| CAS Number | 535956-71-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=CS4 |
Product Overview
1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea (CAS 535956-71-9), with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol. IUPAC: N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea
Property Insights of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea
The XLogP value of 5.29994 indicates that 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea. Following Lipinski's Rule of Five, 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea?
The CAS number of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea is 535956-71-9.
What is the molecular formula of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea?
The molecular formula of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea is C21H17N3O2S2.
What is the molecular weight of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea?
The molecular weight of 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea is 407.08 g/mol.
Where can I buy 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea?
You can request a quote for 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.