1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
TL;DR: 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate (CAS 38914-96-4) is a chemical compound with molecular formula C18H24Cl3N3O and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-acridin-9-yl-N-(2-chloroethyl)propane-1,3-diamine;hydrate;dihydrochloride
Also Known As: ICR 449, ICR 445, 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate, 9-((3-((2-Chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate, Acridine, 9-((3-((2-chloroethyl)amino)propyl)amino)-, dihydrochloride, hydrate
| Molecular Formula | C18H24Cl3N3O |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 4.0373 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.09848 |
| Heavy Atoms | 25 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 38914-96-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCNCCCl.O.Cl.Cl |
| InChIKey | SZYRIFPVSIVBGN-UHFFFAOYSA-N |
Product Overview
1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate (CAS 38914-96-4), with molecular formula C18H24Cl3N3O and molecular weight 403.10 g/mol. IUPAC: N'-acridin-9-yl-N-(2-chloroethyl)propane-1,3-diamine;hydrate;dihydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
Property Insights of 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
The XLogP value of 4.0373 indicates that 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.0 Ų, 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate has 5 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 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate?
The CAS number of 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate is 38914-96-4.
What is the molecular formula of 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate?
The molecular formula of 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate is C18H24Cl3N3O.
What is the molecular weight of 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate?
The molecular weight of 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate is 403.10 g/mol.
Where can I buy 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate?
You can request a quote for 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate 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-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N-9-acridinyl-N'-(2-chloroethyl)-, dihydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.