Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride
TL;DR: Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride (CAS 100678-33-9) is a chemical compound with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[amino-(4-prop-2-enoxy-3,5-dipropylphenyl)methylidene]azanium chloride
Also Known As: 4-Allyloxy-3,5-dipropylbenzamidine hydrochloride, BENZAMIDINE, 4-ALLYLOXY-3,5-DIPROPYL-, HYDROCHLORIDE, [amino-(4-prop-2-enoxy-3,5-dipropylphenyl)methylidene]azanium chloride, [amino-(4-prop-2-enoxy-3,5-dipropylphenyl)methylidene]azanium, amino[4-(prop-2-en-1-yloxy)-3,5-dipropylphenyl]methaniminium chloride
| Molecular Formula | C16H25ClN2O |
|---|---|
| Molecular Weight | 296.17 g/mol |
| LogP | -1.38 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.16553 |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 100678-33-9 |
|---|---|
| SMILES | CCCC1=CC(=CC(=C1OCC=C)CCC)C(=[NH2+])N.[Cl-] |
| InChIKey | PEBQHHAQBMRTAI-UHFFFAOYSA-N |
Product Overview
Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride (CAS 100678-33-9), with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol. IUPAC: [amino-(4-prop-2-enoxy-3,5-dipropylphenyl)methylidene]azanium chloride.
Chemical Property Profile of Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride
Property Insights of Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride
The XLogP value of -1.38 indicates that Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride. Following Lipinski's Rule of Five, Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride has 2 hydrogen bond donor(s) and 2 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 Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride?
The CAS number of Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride is 100678-33-9.
What is the molecular formula of Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride?
The molecular formula of Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride is C16H25ClN2O.
What is the molecular weight of Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride?
The molecular weight of Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride is 296.17 g/mol.
Where can I buy Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride?
You can request a quote for Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzamidine, 4-allyloxy-3,5-dipropyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.