1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride
TL;DR: 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride (CAS 63710-45-2) is a chemical compound with molecular formula C23H24Cl2N4O2 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine;dihydrochloride
Also Known As: 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride, N-(1-Nitro-9-acridinyl)-N'-(phenylmethyl)-1,3-propanediamine dihydrochloride, N-benzyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine dihydrochloride, N~1~-Benzyl-N~3~-(1-nitroacridin-9-yl)propane-1,3-diamine--hydrogen chloride (1/2)
| Molecular Formula | C23H24Cl2N4O2 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 5.7316 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.12762 |
| Heavy Atoms | 31 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 63710-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-].Cl.Cl |
| InChIKey | PCLDGPKCQNFTHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride (CAS 63710-45-2), with molecular formula C23H24Cl2N4O2 and molecular weight 458.13 g/mol. IUPAC: N-benzyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride
Property Insights of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride
The XLogP value of 5.7316 indicates that 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride. Following Lipinski's Rule of Five, 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride?
The CAS number of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride is 63710-45-2.
What is the molecular formula of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride?
The molecular formula of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride is C23H24Cl2N4O2.
What is the molecular weight of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride?
The molecular weight of 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride is 458.13 g/mol.
Where can I buy 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride?
You can request a quote for 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N-(1-nitro-9-acridinyl)-N'-(phenylmethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.