Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride
TL;DR: Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride (CAS 455-80-1) is a chemical compound with molecular formula C18H28ClFINO2 and molecular weight 471.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dibutylamino)propyl 4-fluoro-3-iodobenzoate;hydrochloride
Also Known As: Dibutylaminopropyl 3-iodo-4-fluorobenzoate HCl, Dibutylaminopropyl 3-iodo-4-fluorobenzoate Hydrochloride, 4-Fluoro-3-iodobenzoic acid, 3-(dibutylamino)propyl ester, hydrochloride, Hydrochloride of the di-n-butylaminopropyl 3-iodo-4-fluorobenzoate, 3-(dibutylamino)propyl 4-fluoro-3-iodobenzoate hydrochloride
Technical Specifications
| Molecular Formula | C18H28ClFINO2 |
| Molecular Weight | 471.08374 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.08374 Da |
| Heavy Atoms | 24 |
| Complexity | 322.0 |
| SMILES | CCCCN(CCCC)CCCOC(=O)C1=CC(=C(C=C1)F)I.Cl |
| InChIKey | HQMLPMDFUQGCBW-UHFFFAOYSA-N |
Product Description
Applications: Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride is a fine chemical identified by CAS number 455-80-1 and the molecular formula C18H28ClFINO2 and a molecular weight of 471.08 g/mol. Synonyms include Dibutylaminopropyl 3-iodo-4-fluorobenzoate HCl and Dibutylaminopropyl 3-iodo-4-fluorobenzoate Hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride
Property Insights of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride
The XLogP value of 5.3 indicates that Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride?
The CAS number of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride is 455-80-1.
What is the molecular formula of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride?
The molecular formula of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride is C18H28ClFINO2.
What is the molecular weight of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride?
The molecular weight of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride is 471.08374 g/mol.
What are the applications of Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride?
Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride?
You can request a quote for Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.