Benarthin
TL;DR: Benarthin (CAS 143651-45-0) is a chemical compound with molecular formula C17H25N5O7 and molecular weight 411.17538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxybutanoic acid
Also Known As: Benarthin, (2,3-dihydroxybenzoyl)Arg-Thr, (2,3-dihydroxybenzoyl)arginylthreonine, 2,3-dihydroxybenzoyl-arginyl-threonine, N-(N(sup 2)-(2,3-Dihydroxybenzoyl)-L-arginyl)-L-threonine
Technical Specifications
| Molecular Formula | C17H25N5O7 |
| Molecular Weight | 411.17538 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 411.17538 Da |
| Heavy Atoms | 29 |
| Complexity | 611.0 |
| SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=C(C(=CC=C1)O)O)O |
| InChIKey | RYFDAFYFFUVLNW-QRTLGDNMSA-N |
Chemical Property Profile of Benarthin
Property Insights of Benarthin
The XLogP value of -1.0 indicates that Benarthin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 221.0 Ų indicates high polarity, suggesting Benarthin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benarthin has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benarthin?
The CAS number of Benarthin is 143651-45-0.
What is the molecular formula of Benarthin?
The molecular formula of Benarthin is C17H25N5O7.
What is the molecular weight of Benarthin?
The molecular weight of Benarthin is 411.17538 g/mol.
Where can I buy Benarthin?
You can request a quote for Benarthin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benarthin?
Yes, CoreyChem provides custom synthesis services for Benarthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.