2-Butyl-2-nitro-1,3-propanediol
TL;DR: 2-Butyl-2-nitro-1,3-propanediol (CAS 71027-27-5) is a chemical compound with molecular formula C7H15NO4 and molecular weight 177.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-2-nitropropane-1,3-diol
Also Known As: 2-BUTYL-2-NITRO-1,3-PROPANEDIOL, 2-butyl-2-nitropropane-1,3-diol, 1,3-Propanediol,2-butyl-2-nitro-, 2-butyl-2-nitro-propane-1,3-diol
| Molecular Formula | C7H15NO4 |
|---|---|
| Molecular Weight | 177.10 g/mol |
| LogP | 0.1767 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 177.10011 |
| Heavy Atoms | 12 |
| Complexity | 144.3418 |
Chemical Identifiers
| CAS Number | 71027-27-5 |
|---|---|
| SMILES | CCCCC(CO)(CO)[N+](=O)[O-] |
Product Overview
2-Butyl-2-nitro-1,3-propanediol (CAS 71027-27-5), with molecular formula C7H15NO4 and molecular weight 177.10 g/mol. IUPAC: 2-butyl-2-nitropropane-1,3-diol.
Chemical Property Profile of 2-Butyl-2-nitro-1,3-propanediol
Property Insights of 2-Butyl-2-nitro-1,3-propanediol
The XLogP value of 0.1767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-2-nitro-1,3-propanediol. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-2-nitro-1,3-propanediol. Following Lipinski's Rule of Five, 2-Butyl-2-nitro-1,3-propanediol has 2 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 2-Butyl-2-nitro-1,3-propanediol?
The CAS number of 2-Butyl-2-nitro-1,3-propanediol is 71027-27-5.
What is the molecular formula of 2-Butyl-2-nitro-1,3-propanediol?
The molecular formula of 2-Butyl-2-nitro-1,3-propanediol is C7H15NO4.
What is the molecular weight of 2-Butyl-2-nitro-1,3-propanediol?
The molecular weight of 2-Butyl-2-nitro-1,3-propanediol is 177.10 g/mol.
Where can I buy 2-Butyl-2-nitro-1,3-propanediol?
You can request a quote for 2-Butyl-2-nitro-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-2-nitro-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-2-nitro-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.