3-Phenylpropyl nitrite
TL;DR: 3-Phenylpropyl nitrite (CAS 28537-55-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl nitrite
Also Known As: 3-PHENYLPROPYL NITRITE, Benzenepropanol, nitrite, 1-Propanol, 3-phenyl-, nitrite, Nitrous acid, 3-phenylpropyl ester, Nitrous acid hydrocinnamyl ester
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 28537-55-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCON=O |
| InChIKey | FYUBBQDVMDPQED-UHFFFAOYSA-N |
Product Overview
3-Phenylpropyl nitrite (CAS 28537-55-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 3-phenylpropyl nitrite.
Chemical Property Profile of 3-Phenylpropyl nitrite
Property Insights of 3-Phenylpropyl nitrite
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropyl nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Phenylpropyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl nitrite has 0 hydrogen bond donor(s) and 3 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-Phenylpropyl nitrite?
The CAS number of 3-Phenylpropyl nitrite is 28537-55-5.
What is the molecular formula of 3-Phenylpropyl nitrite?
The molecular formula of 3-Phenylpropyl nitrite is C9H11NO2.
What is the molecular weight of 3-Phenylpropyl nitrite?
The molecular weight of 3-Phenylpropyl nitrite is 165.08 g/mol.
Where can I buy 3-Phenylpropyl nitrite?
You can request a quote for 3-Phenylpropyl nitrite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl nitrite?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.