RefChem:327722
TL;DR: RefChem:327722 (CAS 24813-09-0) is a chemical compound with molecular formula C17H27Cl3N2O2 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[bis(2-chloroethyl)amino]benzoyl]oxyethyl-diethylazanium chloride
Also Known As: m-(Bis(2-chloroethyl)amino)benzoic acid 2-(diethylamino)ethyl ester hydrochloride, Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride, 2-[2-[bis(2-chloroethyl)amino]benzoyl]oxyethyl-diethylazanium chloride, RefChem:327722
| Molecular Formula | C17H27Cl3N2O2 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | -0.94 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.1138 |
| Heavy Atoms | 24 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 24813-09-0 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=CC=C1N(CCCl)CCCl.[Cl-] |
| InChIKey | CJDDLBADTXSUEK-UHFFFAOYSA-N |
Product Overview
RefChem:327722 (CAS 24813-09-0), with molecular formula C17H27Cl3N2O2 and molecular weight 396.11 g/mol. IUPAC: 2-[2-[bis(2-chloroethyl)amino]benzoyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:327722
Property Insights of RefChem:327722
The XLogP value of -0.94 indicates that RefChem:327722 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:327722 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327722 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:327722?
The CAS number of RefChem:327722 is 24813-09-0.
What is the molecular formula of RefChem:327722?
The molecular formula of RefChem:327722 is C17H27Cl3N2O2.
What is the molecular weight of RefChem:327722?
The molecular weight of RefChem:327722 is 396.11 g/mol.
Where can I buy RefChem:327722?
You can request a quote for RefChem:327722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.