![2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol structure](/static/products/1675/16757-53-2.webp)
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol
TL;DR: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol (CAS 16757-53-2) is a chemical compound with molecular formula C32H39BrCl4N4O and molecular weight 714.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol
Also Known As: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol, 2-[1,3-Bis({4-[bis(2-chloroethyl)amino]phenyl}methyl)-1,3-diazinan-2-yl]-4-bromophenol
| Molecular Formula | C32H39BrCl4N4O |
|---|---|
| Molecular Weight | 714.11 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 714.10614 |
| Heavy Atoms | 42 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 16757-53-2 |
|---|---|
| SMILES | C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=CC(=C3)Br)O)CC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | DFWKMEKSLPZNED-UHFFFAOYSA-N |
Product Overview
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol (CAS 16757-53-2), with molecular formula C32H39BrCl4N4O and molecular weight 714.11 g/mol. IUPAC: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol.
Chemical Property Profile of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol
Property Insights of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol
The XLogP value of 8.0 indicates that 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol has 1 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 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol?
The CAS number of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol is 16757-53-2.
What is the molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol?
The molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol is C32H39BrCl4N4O.
What is the molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol?
The molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol is 714.11 g/mol.
Where can I buy 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol?
You can request a quote for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.