2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) (CAS 67049-47-2) is a chemical compound with molecular formula C15H22ClFINO2 and molecular weight 429.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(4-fluoro-3-iodobenzoyl)oxybutan-2-yl]azanium chloride
Also Known As: Benzoic acid, 4-fluoro-3-iodo-, ((1-diethylamino-1-methyl)propyl) ester, hydrochloride, diethyl-[2-(4-fluoro-3-iodobenzoyl)oxybutan-2-yl]azanium chloride, Hydrochloride of the diethylamino-2-butyl 3-iodo-4-fluorobenzoate, 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1), Benzoic acid, 4-fluoro-3-iodo-, 1-(diethylamino)-1-methylpropyl ester, hydrochloride
| Molecular Formula | C15H22ClFINO2 |
|---|---|
| Molecular Weight | 429.04 g/mol |
| LogP | -0.36 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.03677 |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 67049-47-2 |
|---|---|
| SMILES | CCC(C)([NH+](CC)CC)OC(=O)C1=CC(=C(C=C1)F)I.[Cl-] |
| InChIKey | XMUOWIDMTKWPCZ-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) (CAS 67049-47-2), with molecular formula C15H22ClFINO2 and molecular weight 429.04 g/mol. IUPAC: diethyl-[2-(4-fluoro-3-iodobenzoyl)oxybutan-2-yl]azanium chloride.
Chemical Property Profile of 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)
The XLogP value of -0.36 indicates that 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 4 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 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) is 67049-47-2.
What is the molecular formula of 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) is C15H22ClFINO2.
What is the molecular weight of 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) is 429.04 g/mol.
Where can I buy 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)butan-2-yl 4-fluoro-3-iodobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.