RefChem:1067216
TL;DR: RefChem:1067216 (CAS 100311-23-7) is a chemical compound with molecular formula C21H36Cl2N2O3 and molecular weight 434.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride
Also Known As: 4-Butylamino-2-ethoxy-benzoic acid 3-piperidinopropyl ester dihydrochloride, BENZOIC ACID, 4-BUTYLAMINO-2-ETHOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE, BUTYL-[3-ETHOXY-4-(3-PIPERIDIN-1-IUM-1-YLPROPOXYCARBONYL)PHENYL]AZANIUMDICHLORIDE, butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium, 2-Aethoxy-4-butylamino-benzoesaeure-(3-piperidino-propylester),Dihydrochlorid
| Molecular Formula | C21H36Cl2N2O3 |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 434.2103 |
| Heavy Atoms | 28 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 100311-23-7 |
|---|---|
| SMILES | CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCC.[Cl-].[Cl-] |
| InChIKey | IIAZLESTLKPXMW-UHFFFAOYSA-N |
Product Overview
RefChem:1067216 (CAS 100311-23-7), with molecular formula C21H36Cl2N2O3 and molecular weight 434.21 g/mol. IUPAC: butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride.
Chemical Property Profile of RefChem:1067216
Property Insights of RefChem:1067216
The XLogP value of -4.3 indicates that RefChem:1067216 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.6 Ų, RefChem:1067216 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067216 has 2 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:1067216?
The CAS number of RefChem:1067216 is 100311-23-7.
What is the molecular formula of RefChem:1067216?
The molecular formula of RefChem:1067216 is C21H36Cl2N2O3.
What is the molecular weight of RefChem:1067216?
The molecular weight of RefChem:1067216 is 434.21 g/mol.
Where can I buy RefChem:1067216?
You can request a quote for RefChem:1067216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067216?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.