RefChem:1058003
TL;DR: RefChem:1058003 (CAS 78205-24-0) is a chemical compound with molecular formula C9H12N6O2 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-3,4-dihydro-2H-pyrrol-5-amine
Also Known As: 1-Methyl-5-nitro-1H-imidazole-2-carboxaldehyde (3,4-dihydro-2H-pyrrol-5-yl) hydrazone, 1H-Imidazole-2-carboxaldehyde, 1-methyl-5-nitro-, (3,4-dihydro-2H-pyrrol-5-yl)hydrazone, N-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-4,5-dihydro-3H-pyrrol-2-amine, RefChem:1058003, BRN 4502226
| Molecular Formula | C9H12N6O2 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 0.4441 |
| Topological Polar Surface Area | 97.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.10217 |
| Heavy Atoms | 17 |
| Complexity | 489.67557 |
Chemical Identifiers
| CAS Number | 78205-24-0 |
|---|---|
| SMILES | CN1C(=CN=C1/C=N/NC2=NCCC2)[N+](=O)[O-] |
Product Overview
RefChem:1058003 (CAS 78205-24-0), with molecular formula C9H12N6O2 and molecular weight 236.10 g/mol. IUPAC: N-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-3,4-dihydro-2H-pyrrol-5-amine.
Chemical Property Profile of RefChem:1058003
Property Insights of RefChem:1058003
The XLogP value of 0.4441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058003. The TPSA of 97.71 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058003. Following Lipinski's Rule of Five, RefChem:1058003 has 1 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:1058003?
The CAS number of RefChem:1058003 is 78205-24-0.
What is the molecular formula of RefChem:1058003?
The molecular formula of RefChem:1058003 is C9H12N6O2.
What is the molecular weight of RefChem:1058003?
The molecular weight of RefChem:1058003 is 236.10 g/mol.
Where can I buy RefChem:1058003?
You can request a quote for RefChem:1058003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058003?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.