N-beta-Alanyl-N-benzylcarbamimidic acid
TL;DR: N-beta-Alanyl-N-benzylcarbamimidic acid (CAS 41552-92-5) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-benzyl-N-carbamoylpropanamide
Also Known As: n-benzyl-n-carbamoyl-, A-alaninamide, 3-amino-N-benzyl-N-carbamoylpropanamide, N-beta-Alanyl-N-benzylcarbamimidic acid
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 41552-92-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(C(=O)CCN)C(=O)N |
| InChIKey | MAQOSXRTWJOSEA-UHFFFAOYSA-N |
Product Overview
N-beta-Alanyl-N-benzylcarbamimidic acid (CAS 41552-92-5), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 3-amino-N-benzyl-N-carbamoylpropanamide.
Chemical Property Profile of N-beta-Alanyl-N-benzylcarbamimidic acid
Property Insights of N-beta-Alanyl-N-benzylcarbamimidic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-beta-Alanyl-N-benzylcarbamimidic acid. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-beta-Alanyl-N-benzylcarbamimidic acid. Following Lipinski's Rule of Five, N-beta-Alanyl-N-benzylcarbamimidic acid has 2 hydrogen bond donor(s) and 3 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-beta-Alanyl-N-benzylcarbamimidic acid?
The CAS number of N-beta-Alanyl-N-benzylcarbamimidic acid is 41552-92-5.
What is the molecular formula of N-beta-Alanyl-N-benzylcarbamimidic acid?
The molecular formula of N-beta-Alanyl-N-benzylcarbamimidic acid is C11H15N3O2.
What is the molecular weight of N-beta-Alanyl-N-benzylcarbamimidic acid?
The molecular weight of N-beta-Alanyl-N-benzylcarbamimidic acid is 221.12 g/mol.
Where can I buy N-beta-Alanyl-N-benzylcarbamimidic acid?
You can request a quote for N-beta-Alanyl-N-benzylcarbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-beta-Alanyl-N-benzylcarbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-beta-Alanyl-N-benzylcarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.