RefChem:1067217
TL;DR: RefChem:1067217 (CAS 100347-55-5) is a chemical compound with molecular formula C22H38Cl2N2O3 and molecular weight 448.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride
Also Known As: 4-Butylamino-2-propoxybenzoic acid 3-piperidinopropyl ester dihydrochloride, BENZOIC ACID, 4-BUTYLAMINO-2-PROPOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE, BUTYL-[4-(3-PIPERIDIN-1-IUM-1-YLPROPOXYCARBONYL)-3-PROPOXYPHENYL]AZANIUMDICHLORIDE, 1-(3-{[4-(butylammonio)-2-propoxybenzoyl]oxy}propyl)piperidinium dichloride, butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium
| Molecular Formula | C22H38Cl2N2O3 |
|---|---|
| Molecular Weight | 448.23 g/mol |
| LogP | -3.91 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 448.22595 |
| Heavy Atoms | 29 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 100347-55-5 |
|---|---|
| SMILES | CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCCC.[Cl-].[Cl-] |
| InChIKey | VEQBJTZFBGPLMQ-UHFFFAOYSA-N |
Product Overview
RefChem:1067217 (CAS 100347-55-5), with molecular formula C22H38Cl2N2O3 and molecular weight 448.23 g/mol. IUPAC: butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride.
Chemical Property Profile of RefChem:1067217
Property Insights of RefChem:1067217
The XLogP value of -3.91 indicates that RefChem:1067217 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:1067217 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067217 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:1067217?
The CAS number of RefChem:1067217 is 100347-55-5.
What is the molecular formula of RefChem:1067217?
The molecular formula of RefChem:1067217 is C22H38Cl2N2O3.
What is the molecular weight of RefChem:1067217?
The molecular weight of RefChem:1067217 is 448.23 g/mol.
Where can I buy RefChem:1067217?
You can request a quote for RefChem:1067217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067217?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.