![2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol structure](/static/products/5767/5767-47-5.webp)
2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
TL;DR: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol (CAS 5767-47-5) is a chemical compound with molecular formula C30H36Cl3N3O4 and molecular weight 607.18 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-chlorophenyl]-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-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol, 2,2'-[(2-{4-[Bis(2-chloroethyl)amino]-2-chlorophenyl}-1,3-diazinane-1,3-diyl)bis(methylene)]bis(6-methoxyphenol)
| Molecular Formula | C30H36Cl3N3O4 |
|---|---|
| Molecular Weight | 607.18 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 607.1771 |
| Heavy Atoms | 40 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 5767-47-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)CN2CCCN(C2C3=C(C=C(C=C3)N(CCCl)CCCl)Cl)CC4=C(C(=CC=C4)OC)O |
| InChIKey | GBDBVRSUZQXWLR-UHFFFAOYSA-N |
Product Overview
2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol (CAS 5767-47-5), with molecular formula C30H36Cl3N3O4 and molecular weight 607.18 g/mol. IUPAC: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-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-chlorophenyl]-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-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
The XLogP value of 6.2 indicates that 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-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-chlorophenyl]-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-chlorophenyl]-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-chlorophenyl]-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-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol is 5767-47-5.
What is the molecular formula of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-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-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol is C30H36Cl3N3O4.
What is the molecular weight of 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-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-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol is 607.18 g/mol.
Where can I buy 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-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-chlorophenyl]-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-chlorophenyl]-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-chlorophenyl]-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.