2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate
TL;DR: 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate (CAS 31702-62-2) is a chemical compound with molecular formula C14H20ClNO3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloroethyl(methyl)amino]ethyl 4-ethoxybenzoate
Also Known As: 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate, Cid 3082334, 2-[2-chloroethyl(methyl)amino]ethyl 4-ethoxybenzoate, 2-[(2-CHLOROETHYL)(METHYL)AMINO]ETHYL 4-ETHOXYBENZOATE, Benzoic acid, 4-ethoxy-, 2-((2-chloroethyl)methylamino)ethyl ester
| Molecular Formula | C14H20ClNO3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 2.4127 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 285.11316 |
| Heavy Atoms | 19 |
| Complexity | 380.7824 |
Chemical Identifiers
| CAS Number | 31702-62-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OCCN(C)CCCl |
Product Overview
2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate (CAS 31702-62-2), with molecular formula C14H20ClNO3 and molecular weight 285.11 g/mol. IUPAC: 2-[2-chloroethyl(methyl)amino]ethyl 4-ethoxybenzoate.
Chemical Property Profile of 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate
Property Insights of 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate
The XLogP value of 2.4127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate. With a topological polar surface area (TPSA) of 38.77 Ų, 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate 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 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate?
The CAS number of 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate is 31702-62-2.
What is the molecular formula of 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate?
The molecular formula of 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate is C14H20ClNO3.
What is the molecular weight of 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate?
The molecular weight of 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate is 285.11 g/mol.
Where can I buy 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate?
You can request a quote for 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chloroethyl)methylamino)ethyl-4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.