3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)
TL;DR: 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) (CAS 100347-85-1) is a chemical compound with molecular formula C18H32Cl2N2O3 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-azaniumyl-2-butoxybenzoyl)oxypropyl-diethylazanium dichloride
Also Known As: 4-Amino-2-butoxy-benzoic acid 3-(diethylamino)propyl ester dihydrochloride, 3-(4-azaniumyl-2-butoxybenzoyl)oxypropyl-diethylazanium dichloride, 3-(4-azaniumyl-2-butoxybenzoyl)oxypropyl-diethylazanium, BENZOIC ACID, 4-AMINO-2-BUTOXY-, 3-(DIETHYLAMINO)PROPYL ESTER, DIHYDROCHLORIDE, 3-butoxy-4-{[3-(diethylammonio)propoxy]carbonyl}anilinium dichloride
| Molecular Formula | C18H32Cl2N2O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | -4.78 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 394.179 |
| Heavy Atoms | 25 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 100347-85-1 |
|---|---|
| SMILES | CCCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+](CC)CC.[Cl-].[Cl-] |
| InChIKey | NQSKEHPRHKAEGD-UHFFFAOYSA-N |
Product Overview
3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) (CAS 100347-85-1), with molecular formula C18H32Cl2N2O3 and molecular weight 394.18 g/mol. IUPAC: 3-(4-azaniumyl-2-butoxybenzoyl)oxypropyl-diethylazanium dichloride.
Chemical Property Profile of 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)
Property Insights of 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)
The XLogP value of -4.78 indicates that 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) 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 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)?
The CAS number of 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) is 100347-85-1.
What is the molecular formula of 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)?
The molecular formula of 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) is C18H32Cl2N2O3.
What is the molecular weight of 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)?
The molecular weight of 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) is 394.18 g/mol.
Where can I buy 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)?
You can request a quote for 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)propyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.