2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol
TL;DR: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol (CAS 19320-26-4) is a chemical compound with molecular formula C37H48Cl4N4O and molecular weight 704.26 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]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol
Also Known As: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol, 2-[1,3-Bis({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methyl)-1,3-diazinan-2-yl]-6-(prop-2-en-1-yl)phenol
| Molecular Formula | C37H48Cl4N4O |
|---|---|
| Molecular Weight | 704.26 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 704.25824 |
| Heavy Atoms | 46 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 19320-26-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC(=C3O)CC=C)CC4=C(C=C(C=C4)N(CCCl)CCCl)C |
| InChIKey | YVUGPLQJYPBQPX-UHFFFAOYSA-N |
Product Overview
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol (CAS 19320-26-4), with molecular formula C37H48Cl4N4O and molecular weight 704.26 g/mol. IUPAC: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol.
Chemical Property Profile of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol
Property Insights of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol
The XLogP value of 9.1 indicates that 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol 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]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol 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]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol 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]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol?
The CAS number of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol is 19320-26-4.
What is the molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol?
The molecular formula of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol is C37H48Cl4N4O.
What is the molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol?
The molecular weight of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol is 704.26 g/mol.
Where can I buy 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol?
You can request a quote for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol 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]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.