![3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine structure](/static/products/6145/61457-65-6.webp)
3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine
TL;DR: 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine (CAS 61457-65-6) is a chemical compound with molecular formula C10H7N5O2 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-8-nitro-1,3,4,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
Also Known As: 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine, 3-methyl-5-nitro-pyrrolo[1,5-b,2,3-c']dipyridazine
| Molecular Formula | C10H7N5O2 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.05997 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 61457-65-6 |
|---|---|
| SMILES | CC1=CC2=C(N=N1)N3C(=C2[N+](=O)[O-])C=CC=N3 |
| InChIKey | VMZHFZJULQRFSN-UHFFFAOYSA-N |
Product Overview
3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine (CAS 61457-65-6), with molecular formula C10H7N5O2 and molecular weight 229.06 g/mol. IUPAC: 5-methyl-8-nitro-1,3,4,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.
Chemical Property Profile of 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine
Property Insights of 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine. Following Lipinski's Rule of Five, 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine has 0 hydrogen bond donor(s) and 5 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 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine?
The CAS number of 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine is 61457-65-6.
What is the molecular formula of 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine?
The molecular formula of 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine is C10H7N5O2.
What is the molecular weight of 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine?
The molecular weight of 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine is 229.06 g/mol.
Where can I buy 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine?
You can request a quote for 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-nitropyrrolo[1,2-b:5,4-c']dipyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.