C13H23N3.3/2C4H4O4
TL;DR: C13H23N3.3/2C4H4O4 (CAS 96224-07-6) is a chemical compound with molecular formula C17H28N3O4+ and molecular weight 338.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioate;butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium
Also Known As: C13H23N3.3/2C4H4O4, 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-butyl-1-ethyl-, (E)-2-butenedioate (2:3), C13-H23-N3.3/2C4-H4-O4, 4,5,6,7-Tetrahydro-5-(butylamino)-1-ethylbenzimidazole fumarate (2:3), Benzimidazole, 4,5,6,7-tetrahydro-5-(butylamino)-1-ethyl-, fumarate (2:3)
| Molecular Formula | C17H28N3O4+ |
|---|---|
| Molecular Weight | 338.21 g/mol |
| LogP | -4.8163 |
| Topological Polar Surface Area | 115.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.20798 |
| Heavy Atoms | 24 |
| Complexity | 509.9287 |
Chemical Identifiers
| CAS Number | 96224-07-6 |
|---|---|
| SMILES | CCCC[NH2+]C1CCC2=C(C1)[NH+]=C[NH+]2CC.C(=C/C(=O)[O-])\C(=O)[O-] |
Product Overview
C13H23N3.3/2C4H4O4 (CAS 96224-07-6), with molecular formula C17H28N3O4+ and molecular weight 338.21 g/mol. IUPAC: (E)-but-2-enedioate;butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium.
Chemical Property Profile of C13H23N3.3/2C4H4O4
Property Insights of C13H23N3.3/2C4H4O4
The XLogP value of -4.8163 indicates that C13H23N3.3/2C4H4O4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.28 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H23N3.3/2C4H4O4. Following Lipinski's Rule of Five, C13H23N3.3/2C4H4O4 has 3 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 C13H23N3.3/2C4H4O4?
The CAS number of C13H23N3.3/2C4H4O4 is 96224-07-6.
What is the molecular formula of C13H23N3.3/2C4H4O4?
The molecular formula of C13H23N3.3/2C4H4O4 is C17H28N3O4+.
What is the molecular weight of C13H23N3.3/2C4H4O4?
The molecular weight of C13H23N3.3/2C4H4O4 is 338.21 g/mol.
Where can I buy C13H23N3.3/2C4H4O4?
You can request a quote for C13H23N3.3/2C4H4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H23N3.3/2C4H4O4?
Yes, KEHONG BIO provides custom synthesis services for C13H23N3.3/2C4H4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.