1-Nitro-1-propene
TL;DR: 1-Nitro-1-propene (CAS 3156-70-5) is a chemical compound with molecular formula C3H5NO2 and molecular weight 87.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroprop-1-ene
Also Known As: nitropropene, 1-Nitropropene, 1-nitroprop-1-ene, 1-NITRO-1-PROPENE, 1-Propene, 1-nitro-
| Molecular Formula | C3H5NO2 |
|---|---|
| Molecular Weight | 87.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 87.03203 |
| Heavy Atoms | 6 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 3156-70-5 |
|---|---|
| SMILES | CC=C[N+](=O)[O-] |
| InChIKey | RIHXMHKNTLBIPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-1-propene (CAS 3156-70-5), with molecular formula C3H5NO2 and molecular weight 87.03 g/mol. IUPAC: 1-nitroprop-1-ene.
Chemical Property Profile of 1-Nitro-1-propene
Property Insights of 1-Nitro-1-propene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-1-propene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitro-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-1-propene has 0 hydrogen bond donor(s) and 2 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-Nitro-1-propene?
The CAS number of 1-Nitro-1-propene is 3156-70-5.
What is the molecular formula of 1-Nitro-1-propene?
The molecular formula of 1-Nitro-1-propene is C3H5NO2.
What is the molecular weight of 1-Nitro-1-propene?
The molecular weight of 1-Nitro-1-propene is 87.03 g/mol.
Where can I buy 1-Nitro-1-propene?
You can request a quote for 1-Nitro-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.