N-benzoyl-N'-butylguanidine
TL;DR: N-benzoyl-N'-butylguanidine (CAS 91646-32-1) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(N'-butylcarbamimidoyl)benzamide
Also Known As: N-benzoyl-N'-butyl-guanidine, N-benzoyl-N'-butylguanidine, N-(N'-butylcarbamimidoyl)benzamide
| Molecular Formula | C12H17N3O |
|---|---|
| Molecular Weight | 219.14 g/mol |
| LogP | 1.5312 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.13716 |
| Heavy Atoms | 16 |
| Complexity | 359.78644 |
Chemical Identifiers
| CAS Number | 91646-32-1 |
|---|---|
| SMILES | CCCCN=C(N)NC(=O)C1=CC=CC=C1 |
Product Overview
N-benzoyl-N'-butylguanidine (CAS 91646-32-1), with molecular formula C12H17N3O and molecular weight 219.14 g/mol. IUPAC: N-(N'-butylcarbamimidoyl)benzamide.
Chemical Property Profile of N-benzoyl-N'-butylguanidine
Property Insights of N-benzoyl-N'-butylguanidine
The XLogP value of 1.5312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-N'-butylguanidine. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-N'-butylguanidine. Following Lipinski's Rule of Five, N-benzoyl-N'-butylguanidine 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 N-benzoyl-N'-butylguanidine?
The CAS number of N-benzoyl-N'-butylguanidine is 91646-32-1.
What is the molecular formula of N-benzoyl-N'-butylguanidine?
The molecular formula of N-benzoyl-N'-butylguanidine is C12H17N3O.
What is the molecular weight of N-benzoyl-N'-butylguanidine?
The molecular weight of N-benzoyl-N'-butylguanidine is 219.14 g/mol.
Where can I buy N-benzoyl-N'-butylguanidine?
You can request a quote for N-benzoyl-N'-butylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-butylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-butylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.