3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol
TL;DR: 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol (CAS 62780-67-0) is a chemical compound with molecular formula C9H10Cl2N2O3 and molecular weight 264.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dichloro-2-nitroanilino)propan-1-ol
Also Known As: 3-[ amino]propan-1-ol, 2-(3-Hydroxypropylamino)-4,5-dichloronitrobenzene, 3-((4,5-Dichloro-2-nitrophenyl)amino)propan-1-ol, 1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]-, 1-Propanol, 3-((4,5-dichloro-2-nitrophenyl)amino)-
| Molecular Formula | C9H10Cl2N2O3 |
|---|---|
| Molecular Weight | 264.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.00684 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 62780-67-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])NCCCO |
| InChIKey | UDXBXNMUCAZWPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol (CAS 62780-67-0), with molecular formula C9H10Cl2N2O3 and molecular weight 264.01 g/mol. IUPAC: 3-(4,5-dichloro-2-nitroanilino)propan-1-ol.
Chemical Property Profile of 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol
Property Insights of 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol
The XLogP value of 3.2 indicates that 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol. Following Lipinski's Rule of Five, 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol has 2 hydrogen bond donor(s) and 4 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 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol?
The CAS number of 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol is 62780-67-0.
What is the molecular formula of 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol?
The molecular formula of 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol is C9H10Cl2N2O3.
What is the molecular weight of 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol?
The molecular weight of 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol is 264.01 g/mol.
Where can I buy 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol?
You can request a quote for 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.