1,2,3,4-丁四醇1,4-二硝酸酯
TL;DR: 1,2,3,4-丁四醇1,4-二硝酸酯 (CAS 23125-29-3) is a chemical compound with molecular formula C4H8N2O8 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-丁四醇1,4-二硝酸酯
[(2S,3R)-2,3-dihydroxy-4-nitrooxybutyl] nitrate
Also Known As: KST-1A2920, 1,2,3,4-Butanetetrol, 1,4-dinitrate, (R*,S*)-, (R*,S*)-1,2,3,4-Butanetetrol, 1,4-dinitrate, [(2R,3S)-2,3-dihydroxy-4-nitrooxy-butyl] nitrate, [(2S,3R)-2,3-dihydroxy-4-nitrooxybutyl] nitrate
| Molecular Formula | C4H8N2O8 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.02806 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 23125-29-3 |
|---|---|
| SMILES | C([C@H]([C@H](CO[N+](=O)[O-])O)O)O[N+](=O)[O-] |
| InChIKey | UZNJAWZXHHGSAB-ZXZARUISSA-N |
Product Overview
1,2,3,4-丁四醇1,4-二硝酸酯 (CAS 23125-29-3), with molecular formula C4H8N2O8 and molecular weight 212.03 g/mol. IUPAC: [(2S,3R)-2,3-dihydroxy-4-nitrooxybutyl] nitrate.
Chemical Property Profile of 1,2,3,4-丁四醇1,4-二硝酸酯
Property Insights of 1,2,3,4-丁四醇1,4-二硝酸酯
The XLogP value of -0.5 indicates that 1,2,3,4-丁四醇1,4-二硝酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 1,2,3,4-丁四醇1,4-二硝酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4-丁四醇1,4-二硝酸酯 has 2 hydrogen bond donor(s) and 8 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 1,2,3,4-丁四醇1,4-二硝酸酯?
The CAS number of 1,2,3,4-丁四醇1,4-二硝酸酯 is 23125-29-3.
What is the molecular formula of 1,2,3,4-丁四醇1,4-二硝酸酯?
The molecular formula of 1,2,3,4-丁四醇1,4-二硝酸酯 is C4H8N2O8.
What is the molecular weight of 1,2,3,4-丁四醇1,4-二硝酸酯?
The molecular weight of 1,2,3,4-丁四醇1,4-二硝酸酯 is 212.03 g/mol.
Where can I buy 1,2,3,4-丁四醇1,4-二硝酸酯?
You can request a quote for 1,2,3,4-丁四醇1,4-二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-丁四醇1,4-二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-丁四醇1,4-二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.