Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate
TL;DR: Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate (CAS 70293-13-9) is a chemical compound with molecular formula C17H30N4O2 and molecular weight 322.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminobutyl)-1-(3-methylbutan-2-yl)guanidine;benzoic acid
Also Known As: Spherophysine benzoate, Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate, 1-(4-aminobutyl)-1-(3-methylbutan-2-yl)guanidine; benzoic acid, Benzoic acid--N-(4-aminobutyl)-N-(3-methylbutan-2-yl)guanidine (1/1)
| Molecular Formula | C17H30N4O2 |
|---|---|
| Molecular Weight | 322.24 g/mol |
| LogP | 2.35007 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.23688 |
| Heavy Atoms | 23 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 70293-13-9 |
|---|---|
| SMILES | CC(C)C(C)N(CCCCN)C(=N)N.C1=CC=C(C=C1)C(=O)O |
| InChIKey | FXIWUNCJKZOQFV-UHFFFAOYSA-N |
Product Overview
Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate (CAS 70293-13-9), with molecular formula C17H30N4O2 and molecular weight 322.24 g/mol. IUPAC: 1-(4-aminobutyl)-1-(3-methylbutan-2-yl)guanidine;benzoic acid.
Chemical Property Profile of Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate
Property Insights of Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate
The XLogP value of 2.35007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate. Following Lipinski's Rule of Five, Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate has 4 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 Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate?
The CAS number of Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate is 70293-13-9.
What is the molecular formula of Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate?
The molecular formula of Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate is C17H30N4O2.
What is the molecular weight of Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate?
The molecular weight of Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate is 322.24 g/mol.
Where can I buy Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate?
You can request a quote for Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, N-(4-aminobutyl)-N-(3-methyl-2-butyl)-, monobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.