1-(2-羟乙基)-5-硝基吡咯-2-甲腈
TL;DR: 1-(2-羟乙基)-5-硝基吡咯-2-甲腈 (CAS 3150-53-6) is a chemical compound with molecular formula C7H7N3O3 and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-羟乙基)-5-硝基吡咯-2-甲腈
1-(2-hydroxyethyl)-5-nitropyrrole-2-carbonitrile
Also Known As: HCNP, 1-(2-Hydroxyethyl)-5-nitropyrrole-2-carbonitrile, NP 1, 1-(2-Hydroxyethyl)-5-nitro-1H-pyrrole-2-carbonitrile, 1-(2-Hydroxyethyl)-2-cyano-5-nitropyrrole
| Molecular Formula | C7H7N3O3 |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.04874 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 3150-53-6 |
|---|---|
| SMILES | C1=C(N(C(=C1)[N+](=O)[O-])CCO)C#N |
| InChIKey | LMXHFXAFDMNKIM-UHFFFAOYSA-N |
Product Overview
1-(2-羟乙基)-5-硝基吡咯-2-甲腈 (CAS 3150-53-6), with molecular formula C7H7N3O3 and molecular weight 181.05 g/mol. IUPAC: 1-(2-hydroxyethyl)-5-nitropyrrole-2-carbonitrile.
Chemical Property Profile of 1-(2-羟乙基)-5-硝基吡咯-2-甲腈
Property Insights of 1-(2-羟乙基)-5-硝基吡咯-2-甲腈
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-羟乙基)-5-硝基吡咯-2-甲腈. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-羟乙基)-5-硝基吡咯-2-甲腈. Following Lipinski's Rule of Five, 1-(2-羟乙基)-5-硝基吡咯-2-甲腈 has 1 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-(2-羟乙基)-5-硝基吡咯-2-甲腈?
The CAS number of 1-(2-羟乙基)-5-硝基吡咯-2-甲腈 is 3150-53-6.
What is the molecular formula of 1-(2-羟乙基)-5-硝基吡咯-2-甲腈?
The molecular formula of 1-(2-羟乙基)-5-硝基吡咯-2-甲腈 is C7H7N3O3.
What is the molecular weight of 1-(2-羟乙基)-5-硝基吡咯-2-甲腈?
The molecular weight of 1-(2-羟乙基)-5-硝基吡咯-2-甲腈 is 181.05 g/mol.
Where can I buy 1-(2-羟乙基)-5-硝基吡咯-2-甲腈?
You can request a quote for 1-(2-羟乙基)-5-硝基吡咯-2-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-羟乙基)-5-硝基吡咯-2-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-羟乙基)-5-硝基吡咯-2-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.