RefChem:1086872
TL;DR: RefChem:1086872 (CAS 134221-16-2) is a chemical compound with molecular formula C13H14N6O3S and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]thiourea
Also Known As: 2-((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide, Hydrazinecarbothioamide, 2-((1-((4-methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)-, 1-(3-Nitro-4-methoxybenzyl)-1H-imidazole-2-carbaldehyde thiosemicarbazone, [({1-[(4-methoxy-3-nitrophenyl)methyl]-1H-imidazol-2-yl}methylidene)amino]thiourea, RefChem:1086872
| Molecular Formula | C13H14N6O3S |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 1.0153 |
| Topological Polar Surface Area | 120.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.0848 |
| Heavy Atoms | 23 |
| Complexity | 757.91815 |
Chemical Identifiers
| CAS Number | 134221-16-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C=CN=C2/C=N/NC(=S)N)[N+](=O)[O-] |
Product Overview
RefChem:1086872 (CAS 134221-16-2), with molecular formula C13H14N6O3S and molecular weight 334.08 g/mol. IUPAC: [(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]thiourea.
Chemical Property Profile of RefChem:1086872
Property Insights of RefChem:1086872
The XLogP value of 1.0153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086872. The TPSA of 120.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086872. Following Lipinski's Rule of Five, RefChem:1086872 has 2 hydrogen bond donor(s) and 6 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 RefChem:1086872?
The CAS number of RefChem:1086872 is 134221-16-2.
What is the molecular formula of RefChem:1086872?
The molecular formula of RefChem:1086872 is C13H14N6O3S.
What is the molecular weight of RefChem:1086872?
The molecular weight of RefChem:1086872 is 334.08 g/mol.
Where can I buy RefChem:1086872?
You can request a quote for RefChem:1086872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086872?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.