Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-
TL;DR: Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- (CAS 64236-10-8) is a chemical compound with molecular formula C12H16Cl3NO and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[(3-chloro-4-methoxyphenyl)methyl]ethanamine
Also Known As: BAS 00404051, 2-chloro-N-(2-chloroethyl)-N-[(3-chloro-4-methoxyphenyl)methyl]ethanamine, Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-, N,N-bis(2-chloroethyl)-N-(3-chloro-4-methoxybenzyl)amine, AE-848/31943002
| Molecular Formula | C12H16Cl3NO |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.02975 |
| Heavy Atoms | 17 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 64236-10-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN(CCCl)CCCl)Cl |
| InChIKey | SPYNVFXBZMBOMM-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- (CAS 64236-10-8), with molecular formula C12H16Cl3NO and molecular weight 295.03 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(3-chloro-4-methoxyphenyl)methyl]ethanamine.
Chemical Property Profile of Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-
Property Insights of Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-
The XLogP value of 3.5 indicates that Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- has 0 hydrogen bond donor(s) and 2 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 Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-?
The CAS number of Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- is 64236-10-8.
What is the molecular formula of Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-?
The molecular formula of Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- is C12H16Cl3NO.
What is the molecular weight of Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-?
The molecular weight of Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- is 295.03 g/mol.
Where can I buy Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-?
You can request a quote for Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.