Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride
TL;DR: Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride (CAS 4106-00-7) is a chemical compound with molecular formula C15H22Cl3NO3 and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[bis(2-chloroethyl)aminomethyl]-2-ethoxybenzoate;hydrochloride
Also Known As: methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride, 5-{[Bis-(2-chloro-ethyl)-amino]-methyl}-2-ethoxy-benzoic acid methyl ester
| Molecular Formula | C15H22Cl3NO3 |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 3.5733 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 369.06653 |
| Heavy Atoms | 22 |
| Complexity | 451.65884 |
Chemical Identifiers
| CAS Number | 4106-00-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CN(CCCl)CCCl)C(=O)OC.Cl |
Product Overview
Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride (CAS 4106-00-7), with molecular formula C15H22Cl3NO3 and molecular weight 369.07 g/mol. IUPAC: methyl 5-[bis(2-chloroethyl)aminomethyl]-2-ethoxybenzoate;hydrochloride.
Chemical Property Profile of Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride
Property Insights of Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride
The XLogP value of 3.5733 indicates that Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride has 0 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 Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride?
The CAS number of Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride is 4106-00-7.
What is the molecular formula of Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride?
The molecular formula of Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride is C15H22Cl3NO3.
What is the molecular weight of Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride?
The molecular weight of Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride is 369.07 g/mol.
Where can I buy Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride?
You can request a quote for Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-((bis(2-chloroethyl)amino)methyl)-2-ethoxybenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.