N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea
TL;DR: N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea (CAS 861208-80-2) is a chemical compound with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzoxazol-6-ylcarbamothioyl)benzamide
Also Known As: N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea, 1-benzoyl-3-(1,3-benzoxazol-6-yl)thiourea, N-(1,3-benzoxazol-6-ylcarbamothioyl)benzamide, 2P-064
| Molecular Formula | C15H11N3O2S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.9546 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0572 |
| Heavy Atoms | 21 |
| Complexity | 798.79865 |
Chemical Identifiers
| CAS Number | 861208-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=CO3 |
Product Overview
N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea (CAS 861208-80-2), with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol. IUPAC: N-(1,3-benzoxazol-6-ylcarbamothioyl)benzamide.
Chemical Property Profile of N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea
Property Insights of N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea
The XLogP value of 2.9546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea. Following Lipinski's Rule of Five, N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea 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 N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea?
The CAS number of N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea is 861208-80-2.
What is the molecular formula of N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea?
The molecular formula of N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea is C15H11N3O2S.
What is the molecular weight of N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea?
The molecular weight of N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea is 297.06 g/mol.
Where can I buy N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea?
You can request a quote for N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzoxazol-6-yl)-N'-benzoylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.