RefChem:379803
TL;DR: RefChem:379803 (CAS 14028-20-7) is a chemical compound with molecular formula C18H31Cl2N3O4 and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-hydroxy-4-[[2-(propan-2-ylamino)acetyl]amino]benzoate;dihydrochloride
Also Known As: Salicylic acid, 4-(2-(isopropylamino)acetamido)-, 2-diethylaminoethyl ester, dihydrochloride, 2-(Diethylaminoethyl) 4-(2-(isopropylamino)acetylamino)salicylate, dihydrochloride, 2-diethylaminoethyl 2-hydroxy-4-[[2-(propan-2-ylamino)acetyl]amino]benzoate dihydrochloride, 2-(Diethylamino)ethyl 2-hydroxy-4-{[N-(propan-2-yl)glycyl]amino}benzoate--hydrogen chloride (1/2), Salicylic acid, 4-[2-(isopropylamino)acetamido]-, 2-(diethylamino)ethyl ester, dihydrochloride
| Molecular Formula | C18H31Cl2N3O4 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 2.6709 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 423.16916 |
| Heavy Atoms | 27 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 14028-20-7 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CNC(C)C)O.Cl.Cl |
| InChIKey | ZWIRJWWYUHAEFX-UHFFFAOYSA-N |
Product Overview
RefChem:379803 (CAS 14028-20-7), with molecular formula C18H31Cl2N3O4 and molecular weight 423.17 g/mol. IUPAC: 2-(diethylamino)ethyl 2-hydroxy-4-[[2-(propan-2-ylamino)acetyl]amino]benzoate;dihydrochloride.
Chemical Property Profile of RefChem:379803
Property Insights of RefChem:379803
The XLogP value of 2.6709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:379803. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:379803. Following Lipinski's Rule of Five, RefChem:379803 has 5 hydrogen bond donor(s) and 6 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:379803?
The CAS number of RefChem:379803 is 14028-20-7.
What is the molecular formula of RefChem:379803?
The molecular formula of RefChem:379803 is C18H31Cl2N3O4.
What is the molecular weight of RefChem:379803?
The molecular weight of RefChem:379803 is 423.17 g/mol.
Where can I buy RefChem:379803?
You can request a quote for RefChem:379803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:379803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:379803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.