![2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol structure](/static/products/1675/16757-45-2.webp)
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
TL;DR: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol (CAS 16757-45-2) is a chemical compound with molecular formula C33H42Cl4N4O2 and molecular weight 666.21 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]-6-methoxyphenol
Also Known As: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol, 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-di, 2-[1,3-Bis({4-[bis(2-chloroethyl)amino]phenyl}methyl)-1,3-diazinan-2-yl]-6-methoxyphenol
| Molecular Formula | C33H42Cl4N4O2 |
|---|---|
| Molecular Weight | 666.21 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 666.2062 |
| Heavy Atoms | 43 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 16757-45-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | NDDHDLYNXIRCQI-UHFFFAOYSA-N |
Product Overview
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol (CAS 16757-45-2), with molecular formula C33H42Cl4N4O2 and molecular weight 666.21 g/mol. IUPAC: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol.
Chemical Property Profile of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
Property Insights of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
The XLogP value of 7.3 indicates that 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol 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]-6-methoxyphenol has 1 hydrogen bond donor(s) and 6 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]-6-methoxyphenol?
The CAS number of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol is 16757-45-2.
What is the molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol?
The molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol is C33H42Cl4N4O2.
What is the molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol?
The molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol is 666.21 g/mol.
Where can I buy 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol?
You can request a quote for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol 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]-6-methoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.