![1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea structure](/static/products/5723/5723-39-7.webp)
1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
TL;DR: 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea (CAS 5723-39-7) is a chemical compound with molecular formula C15H14N6OS and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
Also Known As: BIM-0029311.P001, 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea, AO-476/40105238, 2-(1H-1,2,3-benzotriazol-1-ylacetyl)-N-phenylhydrazinecarbothioamide, 2-[(1H-1,2,3-Benzotriazol-1-yl)acetyl]-N-phenylhydrazine-1-carbothioamide
| Molecular Formula | C15H14N6OS |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 1.4491 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.09497 |
| Heavy Atoms | 23 |
| Complexity | 832.1141 |
Chemical Identifiers
| CAS Number | 5723-39-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2 |
Product Overview
1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea (CAS 5723-39-7), with molecular formula C15H14N6OS and molecular weight 326.09 g/mol. IUPAC: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
Property Insights of 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
The XLogP value of 1.4491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea has 3 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-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea?
The CAS number of 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea is 5723-39-7.
What is the molecular formula of 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea?
The molecular formula of 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea is C15H14N6OS.
What is the molecular weight of 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea?
The molecular weight of 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea is 326.09 g/mol.
Where can I buy 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea?
You can request a quote for 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-(Benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.