4-Nitroheptan-3-ol
TL;DR: 4-Nitroheptan-3-ol (CAS 5923-14-8) is a chemical compound with molecular formula C7H15NO3 and molecular weight 161.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitroheptan-3-ol
Also Known As: 4-nitroheptan-3-ol, 3-Heptanol,4-nitro, 4-nitro-heptan-3-ol, 3-Heptanol, 4-nitro-
| Molecular Formula | C7H15NO3 |
|---|---|
| Molecular Weight | 161.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.1052 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5923-14-8 |
|---|---|
| SMILES | CCCC(C(CC)O)[N+](=O)[O-] |
| InChIKey | OMUHFGMZLLRVEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitroheptan-3-ol (CAS 5923-14-8), with molecular formula C7H15NO3 and molecular weight 161.11 g/mol. IUPAC: 4-nitroheptan-3-ol.
Chemical Property Profile of 4-Nitroheptan-3-ol
Property Insights of 4-Nitroheptan-3-ol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroheptan-3-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitroheptan-3-ol. Following Lipinski's Rule of Five, 4-Nitroheptan-3-ol has 1 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 4-Nitroheptan-3-ol?
The CAS number of 4-Nitroheptan-3-ol is 5923-14-8.
What is the molecular formula of 4-Nitroheptan-3-ol?
The molecular formula of 4-Nitroheptan-3-ol is C7H15NO3.
What is the molecular weight of 4-Nitroheptan-3-ol?
The molecular weight of 4-Nitroheptan-3-ol is 161.11 g/mol.
Where can I buy 4-Nitroheptan-3-ol?
You can request a quote for 4-Nitroheptan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitroheptan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitroheptan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.