![2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol structure](/static/products/1675/16757-47-4.webp)
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol
TL;DR: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol (CAS 16757-47-4) is a chemical compound with molecular formula C32H39Cl4N5O3 and molecular weight 681.18 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-nitrophenol
Also Known As: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol, 2-[1,3-Bis({4-[bis(2-chloroethyl)amino]phenyl}methyl)hexahydropyrimidin-2-yl]-4-nitrophenol, 2-[1,3-Bis({4-[bis(2-chloroethyl)amino]phenyl}methyl)-1,3-diazinan-2-yl]-4-nitrophenol, 2-[1,3-BIS[[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]METHYL]-1,3-DIAZINAN-2-YL]-4-NITRO-PHENOL, Phenol,2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydro-2-pyrimidinyl]-4-nitro-
| Molecular Formula | C32H39Cl4N5O3 |
|---|---|
| Molecular Weight | 681.18 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 681.1807 |
| Heavy Atoms | 44 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 16757-47-4 |
|---|---|
| SMILES | C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | RJEHJKLRNAYANU-UHFFFAOYSA-N |
Product Overview
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol (CAS 16757-47-4), with molecular formula C32H39Cl4N5O3 and molecular weight 681.18 g/mol. IUPAC: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol.
Chemical Property Profile of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol
Property Insights of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol
The XLogP value of 7.1 indicates that 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol. Following Lipinski's Rule of Five, 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol has 1 hydrogen bond donor(s) and 7 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-nitrophenol?
The CAS number of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol is 16757-47-4.
What is the molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol?
The molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol is C32H39Cl4N5O3.
What is the molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol?
The molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol is 681.18 g/mol.
Where can I buy 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol?
You can request a quote for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol 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-nitrophenol?
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-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.