N-Nitro-diphenylamin
TL;DR: N-Nitro-diphenylamin (CAS 31432-70-9) is a chemical compound with molecular formula C20H24ClN3O12P2 and molecular weight 595.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[7-chloro-2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinolin-4-yl]amino]propan-1-ol;phosphoric acid
Also Known As: N-Nitro-diphenylamin, 4-Quinolineamine, 7-chloro-N-(3-hydroxypropyl)-2-(5-nitro-2-furyl-1,3-butadienyl)-, phosphate (1:2), 1-Propanol, 3-[[7-chloro-2-[4-(5-nitro-2-furyl)-1,3-butadienyl]-4-quinolyl]amino]-, phosphate (1:2) (salt), 3-[[7-chloro-2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinolin-4-yl]amino]propan-1-ol; phosphoric acid, 3-{7-Chloro-2-[(1E,3E)-4-(5-nitro-furan-2-yl)-buta-1,3-dienyl]-quinolin-4-ylamino}-propan-1-ol; compound with phosphoric acid
| Molecular Formula | C20H24ClN3O12P2 |
|---|---|
| Molecular Weight | 595.05 g/mol |
| LogP | 3.0531 |
| Topological Polar Surface Area | 256.95 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 595.05237 |
| Heavy Atoms | 38 |
| Complexity | 1330.0012 |
Chemical Identifiers
| CAS Number | 31432-70-9 |
|---|---|
| SMILES | C1=CC2=C(C=C(N=C2C=C1Cl)/C=C/C=C/C3=CC=C(O3)[N+](=O)[O-])NCCCO.OP(=O)(O)O.OP(=O)(O)O |
Product Overview
N-Nitro-diphenylamin (CAS 31432-70-9), with molecular formula C20H24ClN3O12P2 and molecular weight 595.05 g/mol. IUPAC: 3-[[7-chloro-2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinolin-4-yl]amino]propan-1-ol;phosphoric acid.
Chemical Property Profile of N-Nitro-diphenylamin
Property Insights of N-Nitro-diphenylamin
The XLogP value of 3.0531 indicates that N-Nitro-diphenylamin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.95 Ų indicates high polarity, suggesting N-Nitro-diphenylamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Nitro-diphenylamin has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Nitro-diphenylamin?
The CAS number of N-Nitro-diphenylamin is 31432-70-9.
What is the molecular formula of N-Nitro-diphenylamin?
The molecular formula of N-Nitro-diphenylamin is C20H24ClN3O12P2.
What is the molecular weight of N-Nitro-diphenylamin?
The molecular weight of N-Nitro-diphenylamin is 595.05 g/mol.
Where can I buy N-Nitro-diphenylamin?
You can request a quote for N-Nitro-diphenylamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitro-diphenylamin?
Yes, KEHONG BIO provides custom synthesis services for N-Nitro-diphenylamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.