![1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea structure](/static/products/5655/5655-99-2.webp)
1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea
TL;DR: 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea (CAS 5655-99-2) 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-benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea
Also Known As: 1-benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea, N-Benzyl-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazine-1-carbothioamide
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.399 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 659.69543 |
Chemical Identifiers
| CAS Number | 5655-99-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2)O |
Product Overview
1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea (CAS 5655-99-2), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 1-benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea
Property Insights of 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea
The XLogP value of 2.399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea. Following Lipinski's Rule of Five, 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea 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-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea?
The CAS number of 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea is 5655-99-2.
What is the molecular formula of 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea?
The molecular formula of 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea is C16H17N3O2S.
What is the molecular weight of 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea?
The molecular weight of 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea is 315.10 g/mol.
Where can I buy 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea?
You can request a quote for 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.