Acridine mustard free base
TL;DR: Acridine mustard free base (CAS 13015-79-7) is a chemical compound with molecular formula C21H25Cl2N3O and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine
Also Known As: Acridine mustard free base, ICR-170 free base, 1,3-Propanediamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-, N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine
| Molecular Formula | C21H25Cl2N3O |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.13748 |
| Heavy Atoms | 27 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 13015-79-7 |
|---|---|
| SMILES | CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl |
| InChIKey | OIFINQAUHKZSBV-UHFFFAOYSA-N |
Product Overview
Acridine mustard free base (CAS 13015-79-7), with molecular formula C21H25Cl2N3O and molecular weight 405.14 g/mol. IUPAC: N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine.
Chemical Property Profile of Acridine mustard free base
Property Insights of Acridine mustard free base
The XLogP value of 5.5 indicates that Acridine mustard free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Acridine mustard free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acridine mustard free base has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acridine mustard free base?
The CAS number of Acridine mustard free base is 13015-79-7.
What is the molecular formula of Acridine mustard free base?
The molecular formula of Acridine mustard free base is C21H25Cl2N3O.
What is the molecular weight of Acridine mustard free base?
The molecular weight of Acridine mustard free base is 405.14 g/mol.
Where can I buy Acridine mustard free base?
You can request a quote for Acridine mustard free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acridine mustard free base?
Yes, KEHONG BIO provides custom synthesis services for Acridine mustard free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.