5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride
TL;DR: 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride (CAS 64398-56-7) is a chemical compound with molecular formula C13H22Cl4N2O2 and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methylpyridin-3-ol;dihydrochloride
Also Known As: 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride, 3-Pyridinol, 5-([bis(2-chloroethyl)amino]methyl)-4-(methoxym, 3-Pyridinol, 5-((bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-, dihydrochloride, 5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methylpyridin-3-ol dihydrochloride, 3-Pyridinol, 5-[[bis(2-chloroethyl)amino]methyl]-4-(methoxymethyl)-2-methyl-, dihydrochloride
| Molecular Formula | C13H22Cl4N2O2 |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 3.36522 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.04355 |
| Heavy Atoms | 21 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 64398-56-7 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)COC)CN(CCCl)CCCl.Cl.Cl |
| InChIKey | BDFSRPNQOJWLHC-UHFFFAOYSA-N |
Product Overview
5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride (CAS 64398-56-7), with molecular formula C13H22Cl4N2O2 and molecular weight 378.04 g/mol. IUPAC: 5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methylpyridin-3-ol;dihydrochloride.
Chemical Property Profile of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride
Property Insights of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride
The XLogP value of 3.36522 indicates that 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride?
The CAS number of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride is 64398-56-7.
What is the molecular formula of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride?
The molecular formula of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride is C13H22Cl4N2O2.
What is the molecular weight of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride?
The molecular weight of 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride is 378.04 g/mol.
Where can I buy 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride?
You can request a quote for 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-((Bis(2-chloroethyl)amino)methyl)-4-(methoxymethyl)-2-methyl-3-pyridinol dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.