![4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho structure](/static/products/1675/16757-48-5.webp)
4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho
TL;DR: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho (CAS 16757-48-5) is a chemical compound with molecular formula C33H42Cl4N4O and molecular weight 650.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
Also Known As: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho, 4,4'-{[2-(4-Methoxyphenyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}bis[N,N-bis(2-chloroethyl)aniline], 4,4'-{[2-(4-Methoxyphenyl)-1,3-diazinane-1,3-diyl]bis(methylene)}bis[N,N-bis(2-chloroethyl)aniline], 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
| Molecular Formula | C33H42Cl4N4O |
|---|---|
| Molecular Weight | 650.21 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 22.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 650.21124 |
| Heavy Atoms | 42 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 16757-48-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | PAJBBXFLRQLRSZ-UHFFFAOYSA-N |
Product Overview
4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho (CAS 16757-48-5), with molecular formula C33H42Cl4N4O and molecular weight 650.21 g/mol. IUPAC: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline.
Chemical Property Profile of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho
Property Insights of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho
The XLogP value of 7.6 indicates that 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.2 Ų, 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho has 0 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 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho?
The CAS number of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho is 16757-48-5.
What is the molecular formula of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho?
The molecular formula of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho is C33H42Cl4N4O.
What is the molecular weight of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho?
The molecular weight of 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho is 650.21 g/mol.
Where can I buy 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho?
You can request a quote for 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-metho and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.