1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
TL;DR: 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- (CAS 95576-89-9) is a chemical compound with molecular formula C9H12ClN3O4 and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-2-chloro-5-nitroanilino)propane-1,2-diol
Also Known As: HC RED NO. 10, HC Red No. 10 [INCI], 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-, 1-amino-5-chloro-4-(2,3-dihydroxypropylamino)-2-nitrobenzene, 3-(4-amino-2-chloro-5-nitroanilino)propane-1,2-diol
| Molecular Formula | C9H12ClN3O4 |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 0.5955 |
| Topological Polar Surface Area | 121.65 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.05164 |
| Heavy Atoms | 17 |
| Complexity | 426.94714 |
Chemical Identifiers
| CAS Number | 95576-89-9 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)NCC(CO)O)[N+](=O)[O-])N |
Product Overview
1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- (CAS 95576-89-9), with molecular formula C9H12ClN3O4 and molecular weight 261.05 g/mol. IUPAC: 3-(4-amino-2-chloro-5-nitroanilino)propane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
Property Insights of 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
The XLogP value of 0.5955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-. The TPSA of 121.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- has 4 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 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-?
The CAS number of 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- is 95576-89-9.
What is the molecular formula of 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-?
The molecular formula of 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- is C9H12ClN3O4.
What is the molecular weight of 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-?
The molecular weight of 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- is 261.05 g/mol.
Where can I buy 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-?
You can request a quote for 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.