RefChem:1081245
TL;DR: RefChem:1081245 (CAS 134221-24-2) is a chemical compound with molecular formula C13H15N7O3S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]thiourea
Also Known As: Carbonothioic dihydrazide, ((1-((4-methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)-, ((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)carbonothioic dihydrazide, 1-[(1-(3-Nitro-4-methoxybenzyl)-1H-imidazol-2-yl)methylene]thiocarbonohydrazide, 3-amino-1-[({1-[(4-methoxy-3-nitrophenyl)methyl]-1H-imidazol-2-yl}methylidene)amino]thiourea, RefChem:1081245
| Molecular Formula | C13H15N7O3S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 0.5199 |
| Topological Polar Surface Area | 132.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.0957 |
| Heavy Atoms | 24 |
| Complexity | 774.67584 |
Chemical Identifiers
| CAS Number | 134221-24-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C=CN=C2/C=N/NC(=S)NN)[N+](=O)[O-] |
Product Overview
RefChem:1081245 (CAS 134221-24-2), with molecular formula C13H15N7O3S and molecular weight 349.10 g/mol. IUPAC: 1-amino-3-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]thiourea.
Chemical Property Profile of RefChem:1081245
Property Insights of RefChem:1081245
The XLogP value of 0.5199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081245. The TPSA of 132.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1081245. Following Lipinski's Rule of Five, RefChem:1081245 has 3 hydrogen bond donor(s) and 7 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:1081245?
The CAS number of RefChem:1081245 is 134221-24-2.
What is the molecular formula of RefChem:1081245?
The molecular formula of RefChem:1081245 is C13H15N7O3S.
What is the molecular weight of RefChem:1081245?
The molecular weight of RefChem:1081245 is 349.10 g/mol.
Where can I buy RefChem:1081245?
You can request a quote for RefChem:1081245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081245?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.