RefChem:412154
TL;DR: RefChem:412154 (CAS 69828-87-1) is a chemical compound with molecular formula C19H16ClN5O6 and molecular weight 445.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]propane-1,2-diol
Also Known As: 3-[[4-[(2-CHLORO-4,6-DINITROPHENYL)AZO]NAPHTHYL]AMINO]PROPANE-1,2-DIOL, 3-4-(2-Chloro-4,6-dinitrophenyl)azonaphthylaminopropane-1,2-diol, 1,2-Propanediol, 3-((4-((2-chloro-4,6-dinitrophenyl)azo)-1-naphthalenyl)amino)-, 1,2-Propanediol, 3-((4-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-1-naphthalenyl)amino)-, 1,2-Propanediol, 3-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-
| Molecular Formula | C19H16ClN5O6 |
|---|---|
| Molecular Weight | 445.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.07892 |
| Heavy Atoms | 31 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 69828-87-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])NCC(CO)O |
| InChIKey | XDBOSNLBUUIWCY-UHFFFAOYSA-N |
Product Overview
RefChem:412154 (CAS 69828-87-1), with molecular formula C19H16ClN5O6 and molecular weight 445.08 g/mol. IUPAC: 3-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]propane-1,2-diol.
Chemical Property Profile of RefChem:412154
Property Insights of RefChem:412154
The XLogP value of 4.5 indicates that RefChem:412154 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:412154 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:412154 has 3 hydrogen bond donor(s) and 9 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 RefChem:412154?
The CAS number of RefChem:412154 is 69828-87-1.
What is the molecular formula of RefChem:412154?
The molecular formula of RefChem:412154 is C19H16ClN5O6.
What is the molecular weight of RefChem:412154?
The molecular weight of RefChem:412154 is 445.08 g/mol.
Where can I buy RefChem:412154?
You can request a quote for RefChem:412154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:412154?
Yes, KEHONG BIO provides custom synthesis services for RefChem:412154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.