RefChem:379827
TL;DR: RefChem:379827 (CAS 14025-56-0) is a chemical compound with molecular formula C17H27ClN2O4 and molecular weight 358.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride
Also Known As: Salicylic acid, 4-(3-(isopropylamino)propionamido)-, butyl ester, monohydrochloride, 4-(3-(Isopropylamino)propionamido)salicylic acid butyl ester hydrochloride, butyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride, Butyl 2-hydroxy-4-{[N-(propan-2-yl)-beta-alanyl]amino}benzoate--hydrogen chloride (1/1), RefChem:379827
| Molecular Formula | C17H27ClN2O4 |
|---|---|
| Molecular Weight | 358.17 g/mol |
| LogP | 3.0975 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.16592 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 14025-56-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl |
| InChIKey | UQCWQQDIOAPIHE-UHFFFAOYSA-N |
Product Overview
RefChem:379827 (CAS 14025-56-0), with molecular formula C17H27ClN2O4 and molecular weight 358.17 g/mol. IUPAC: butyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride.
Chemical Property Profile of RefChem:379827
Property Insights of RefChem:379827
The XLogP value of 3.0975 indicates that RefChem:379827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:379827. Following Lipinski's Rule of Five, RefChem:379827 has 4 hydrogen bond donor(s) and 5 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:379827?
The CAS number of RefChem:379827 is 14025-56-0.
What is the molecular formula of RefChem:379827?
The molecular formula of RefChem:379827 is C17H27ClN2O4.
What is the molecular weight of RefChem:379827?
The molecular weight of RefChem:379827 is 358.17 g/mol.
Where can I buy RefChem:379827?
You can request a quote for RefChem:379827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:379827?
Yes, KEHONG BIO provides custom synthesis services for RefChem:379827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.