1-Carbamimidoylproline
TL;DR: 1-Carbamimidoylproline (CAS 35404-57-0) is a chemical compound with molecular formula C6H11N3O2 and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamimidoylpyrrolidine-2-carboxylic acid
Also Known As: Carbamimidoylproline, n-amidinoproline, N-Guanylproline, 1-carbamimidoylproline, 1-carbamimidoylpyrrolidine-2-carboxylic acid
| Molecular Formula | C6H11N3O2 |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.08513 |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 35404-57-0 |
|---|---|
| SMILES | C1CC(N(C1)C(=N)N)C(=O)O |
| InChIKey | ZXPRYJHVDMWTMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Carbamimidoylproline (CAS 35404-57-0), with molecular formula C6H11N3O2 and molecular weight 157.09 g/mol. IUPAC: 1-carbamimidoylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-Carbamimidoylproline
Property Insights of 1-Carbamimidoylproline
The XLogP value of -0.4 indicates that 1-Carbamimidoylproline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carbamimidoylproline. Following Lipinski's Rule of Five, 1-Carbamimidoylproline has 3 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 1-Carbamimidoylproline?
The CAS number of 1-Carbamimidoylproline is 35404-57-0.
What is the molecular formula of 1-Carbamimidoylproline?
The molecular formula of 1-Carbamimidoylproline is C6H11N3O2.
What is the molecular weight of 1-Carbamimidoylproline?
The molecular weight of 1-Carbamimidoylproline is 157.09 g/mol.
Where can I buy 1-Carbamimidoylproline?
You can request a quote for 1-Carbamimidoylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carbamimidoylproline?
Yes, KEHONG BIO provides custom synthesis services for 1-Carbamimidoylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.