![2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol structure](/static/products/5118/5118-18-3.webp)
2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
TL;DR: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol (CAS 5118-18-3) is a chemical compound with molecular formula C31H39Cl2N3O4 and molecular weight 587.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
Also Known As: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol, 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hyd, 2,2'-[(2-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}-1,3-diazinane-1,3-diyl)bis(methylene)]bis(6-methoxyphenol)
| Molecular Formula | C31H39Cl2N3O4 |
|---|---|
| Molecular Weight | 587.23 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 587.23175 |
| Heavy Atoms | 40 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 5118-18-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=C(C(=CC=C3)OC)O)CC4=C(C(=CC=C4)OC)O |
| InChIKey | JMJQLVZUSVQOIP-UHFFFAOYSA-N |
Product Overview
2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol (CAS 5118-18-3), with molecular formula C31H39Cl2N3O4 and molecular weight 587.23 g/mol. IUPAC: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol.
Chemical Property Profile of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
Property Insights of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
The XLogP value of 5.9 indicates that 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol. Following Lipinski's Rule of Five, 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol has 2 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-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol?
The CAS number of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol is 5118-18-3.
What is the molecular formula of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol?
The molecular formula of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol is C31H39Cl2N3O4.
What is the molecular weight of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol?
The molecular weight of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol is 587.23 g/mol.
Where can I buy 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol?
You can request a quote for 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-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-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.