N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine
TL;DR: N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine (CAS 130031-50-4) is a chemical compound with molecular formula C27H29Cl2N3S and molecular weight 497.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylbutyl]acridin-9-amine
Also Known As: Pekalux, N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine, N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylbutyl]acridin-9-amine, 9-Acridinamine,N-[4-[[4-[bis(2-chloroethyl)amino]phenyl]thio]butyl]-, N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)acridin-9-amine
| Molecular Formula | C27H29Cl2N3S |
|---|---|
| Molecular Weight | 497.15 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 497.14594 |
| Heavy Atoms | 33 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 130031-50-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCSC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | RIZRAWBQTFMLAA-UHFFFAOYSA-N |
Product Overview
N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine (CAS 130031-50-4), with molecular formula C27H29Cl2N3S and molecular weight 497.15 g/mol. IUPAC: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylbutyl]acridin-9-amine.
Chemical Property Profile of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine
Property Insights of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine
The XLogP value of 7.7 indicates that N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine 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 N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine?
The CAS number of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine is 130031-50-4.
What is the molecular formula of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine?
The molecular formula of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine is C27H29Cl2N3S.
What is the molecular weight of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine?
The molecular weight of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine is 497.15 g/mol.
Where can I buy N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine?
You can request a quote for N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.