4-(Nitrooxy)butan-1-ol
TL;DR: 4-(Nitrooxy)butan-1-ol (CAS 22911-39-3) is a chemical compound with molecular formula C4H9NO4 and molecular weight 135.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutyl nitrate
Also Known As: 4-(nitrooxy)butan-1-ol, 4-hydroxybutyl Nitrate, nitrooxybutanol, 4-nitrooxy-1-butanol, 1,4-Butanediol, 1-nitrate
| Molecular Formula | C4H9NO4 |
|---|---|
| Molecular Weight | 135.05 g/mol |
| LogP | -0.0328 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 135.05316 |
| Heavy Atoms | 9 |
| Complexity | 84.63682 |
Chemical Identifiers
| CAS Number | 22911-39-3 |
|---|---|
| SMILES | C(CCO[N+](=O)[O-])CO |
Product Overview
4-(Nitrooxy)butan-1-ol (CAS 22911-39-3), with molecular formula C4H9NO4 and molecular weight 135.05 g/mol. IUPAC: 4-hydroxybutyl nitrate.
Chemical Property Profile of 4-(Nitrooxy)butan-1-ol
Property Insights of 4-(Nitrooxy)butan-1-ol
The XLogP value of -0.0328 indicates that 4-(Nitrooxy)butan-1-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Nitrooxy)butan-1-ol. Following Lipinski's Rule of Five, 4-(Nitrooxy)butan-1-ol 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 4-(Nitrooxy)butan-1-ol?
The CAS number of 4-(Nitrooxy)butan-1-ol is 22911-39-3.
What is the molecular formula of 4-(Nitrooxy)butan-1-ol?
The molecular formula of 4-(Nitrooxy)butan-1-ol is C4H9NO4.
What is the molecular weight of 4-(Nitrooxy)butan-1-ol?
The molecular weight of 4-(Nitrooxy)butan-1-ol is 135.05 g/mol.
Where can I buy 4-(Nitrooxy)butan-1-ol?
You can request a quote for 4-(Nitrooxy)butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Nitrooxy)butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Nitrooxy)butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.