1,4-Butanediol, 2,3-dinitro-
TL;DR: 1,4-Butanediol, 2,3-dinitro- (CAS 61738-29-2) is a chemical compound with molecular formula C4H8N2O6 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dinitrobutane-1,4-diol
Also Known As: 2,3-dinitrobutane-1,4-diol, 1,4-Butanediol, 2,3-dinitro-
| Molecular Formula | C4H8N2O6 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.03824 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 61738-29-2 |
|---|---|
| SMILES | C(C(C(CO)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | FKLGNCOAXPVUNO-UHFFFAOYSA-N |
Product Overview
1,4-Butanediol, 2,3-dinitro- (CAS 61738-29-2), with molecular formula C4H8N2O6 and molecular weight 180.04 g/mol. IUPAC: 2,3-dinitrobutane-1,4-diol.
Chemical Property Profile of 1,4-Butanediol, 2,3-dinitro-
Property Insights of 1,4-Butanediol, 2,3-dinitro-
The XLogP value of -1.5 indicates that 1,4-Butanediol, 2,3-dinitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Butanediol, 2,3-dinitro-. Following Lipinski's Rule of Five, 1,4-Butanediol, 2,3-dinitro- has 2 hydrogen bond donor(s) and 6 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 1,4-Butanediol, 2,3-dinitro-?
The CAS number of 1,4-Butanediol, 2,3-dinitro- is 61738-29-2.
What is the molecular formula of 1,4-Butanediol, 2,3-dinitro-?
The molecular formula of 1,4-Butanediol, 2,3-dinitro- is C4H8N2O6.
What is the molecular weight of 1,4-Butanediol, 2,3-dinitro-?
The molecular weight of 1,4-Butanediol, 2,3-dinitro- is 180.04 g/mol.
Where can I buy 1,4-Butanediol, 2,3-dinitro-?
You can request a quote for 1,4-Butanediol, 2,3-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediol, 2,3-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediol, 2,3-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.