RefChem:367793
TL;DR: RefChem:367793 (CAS 21447-83-6) is a chemical compound with molecular formula C18H29Cl3N2O2 and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate;hydrochloride
Also Known As: p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride, 3-(Bis(2-chloroethyl)amino)-p-toluic acid 2-(diethylamino)ethyl ester hydrochloride, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester, HCl, 2-(diethylamino)ethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate hydrochloride(1:1), 2-diethylaminoethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate hydrochloride
| Molecular Formula | C18H29Cl3N2O2 |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 410.12946 |
| Heavy Atoms | 25 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 21447-83-6 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC(=C(C=C1)C)N(CCCl)CCCl.Cl |
| InChIKey | XCSUFOWHYVRFSD-UHFFFAOYSA-N |
Product Overview
RefChem:367793 (CAS 21447-83-6), with molecular formula C18H29Cl3N2O2 and molecular weight 410.13 g/mol. IUPAC: 2-(diethylamino)ethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate;hydrochloride.
Chemical Property Profile of RefChem:367793
Property Insights of RefChem:367793
The XLogP value of 4.2 indicates that RefChem:367793 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:367793 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367793 has 1 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 RefChem:367793?
The CAS number of RefChem:367793 is 21447-83-6.
What is the molecular formula of RefChem:367793?
The molecular formula of RefChem:367793 is C18H29Cl3N2O2.
What is the molecular weight of RefChem:367793?
The molecular weight of RefChem:367793 is 410.13 g/mol.
Where can I buy RefChem:367793?
You can request a quote for RefChem:367793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367793?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.