4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol
TL;DR: 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol (CAS 63732-27-4) is a chemical compound with molecular formula C10H11BrN2O6 and molecular weight 333.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-4,4-dinitro-1-phenylbutane-1,2-diol
Also Known As: Brom-nitrophenidole, Butanediol, butyl-, 4-bromo-4,4-dinitro-1-phenylbutane-1,2-diol, 1-Brom-1,1-dinitro-4-phenylbutandiol-3,4, 4-Bromo-4,4-dinitro-1-phenyl-1,2-butanediol
| Molecular Formula | C10H11BrN2O6 |
|---|---|
| Molecular Weight | 333.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.98004 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 63732-27-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(CC([N+](=O)[O-])([N+](=O)[O-])Br)O)O |
| InChIKey | DNXJJIZZMJTTAV-UHFFFAOYSA-N |
Product Overview
4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol (CAS 63732-27-4), with molecular formula C10H11BrN2O6 and molecular weight 333.98 g/mol. IUPAC: 4-bromo-4,4-dinitro-1-phenylbutane-1,2-diol.
Chemical Property Profile of 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol
Property Insights of 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol. Following Lipinski's Rule of Five, 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol 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 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol?
The CAS number of 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol is 63732-27-4.
What is the molecular formula of 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol?
The molecular formula of 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol is C10H11BrN2O6.
What is the molecular weight of 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol?
The molecular weight of 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol is 333.98 g/mol.
Where can I buy 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol?
You can request a quote for 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.