3-Nitro-hept-3-ene
TL;DR: 3-Nitro-hept-3-ene (CAS 6187-24-2) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrohept-3-ene
Also Known As: 3-Heptene, 3-nitro-, 3-nitro-hept-3-ene, 3-NITRO-3-HEPTENE, 4-01-00-00862 (Beilstein Handbook Reference)
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 6187-24-2 |
|---|---|
| SMILES | CCCC=C(CC)[N+](=O)[O-] |
| InChIKey | GWDKXPLSCZJVHP-UHFFFAOYSA-N |
Product Overview
3-Nitro-hept-3-ene (CAS 6187-24-2), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: 3-nitrohept-3-ene.
Chemical Property Profile of 3-Nitro-hept-3-ene
Property Insights of 3-Nitro-hept-3-ene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-hept-3-ene. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Nitro-hept-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitro-hept-3-ene 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 3-Nitro-hept-3-ene?
The CAS number of 3-Nitro-hept-3-ene is 6187-24-2.
What is the molecular formula of 3-Nitro-hept-3-ene?
The molecular formula of 3-Nitro-hept-3-ene is C7H13NO2.
What is the molecular weight of 3-Nitro-hept-3-ene?
The molecular weight of 3-Nitro-hept-3-ene is 143.09 g/mol.
Where can I buy 3-Nitro-hept-3-ene?
You can request a quote for 3-Nitro-hept-3-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-hept-3-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-hept-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.