2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro
TL;DR: 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro (CAS 78807-77-9) is a chemical compound with molecular formula C29H21ClN4O3S and molecular weight 540.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
Also Known As: 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro, 10H-Phenothiazine, 10-((3-(4-chlorophenyl)-4,5-dihydro-5-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-, 2-(3-(4-Chlorophenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-1-(10H-phenothiazin-10-yl)ethanone, 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 2-[3-(4-Chlorophenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one
| Molecular Formula | C29H21ClN4O3S |
|---|---|
| Molecular Weight | 540.10 g/mol |
| LogP | 7.2288 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.1023 |
| Heavy Atoms | 38 |
| Complexity | 1528.2719 |
Chemical Identifiers
| CAS Number | 78807-77-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Cl)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro (CAS 78807-77-9), with molecular formula C29H21ClN4O3S and molecular weight 540.10 g/mol. IUPAC: 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro
Property Insights of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro
The XLogP value of 7.2288 indicates that 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro. Following Lipinski's Rule of Five, 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro?
The CAS number of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro is 78807-77-9.
What is the molecular formula of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro?
The molecular formula of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro is C29H21ClN4O3S.
What is the molecular weight of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro?
The molecular weight of 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro is 540.10 g/mol.
Where can I buy 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro?
You can request a quote for 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.