N-n-octanoylglycine
TL;DR: N-n-octanoylglycine (CAS 64039-42-5) is a chemical compound with molecular formula C10H10BrN3O2S and molecular weight 314.9677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,3-dioxoisoindol-2-yl)methyl carbamimidothioate;hydrobromide
Also Known As: N-n-octanoylglycine, USAF A-964, Phthalimidomethylisothiouronium bromide, KST-1A7176, Pseudourea, 2-phthalimidomethyl-2-thio-, hydrobromide
Technical Specifications
| Molecular Formula | C10H10BrN3O2S |
| Molecular Weight | 314.9677 g/mol |
| XLogP | 1.44 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.9677 Da |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CSC(=N)N.Br |
| InChIKey | NLUHGJHPKNBXNY-UHFFFAOYSA-N |
Chemical Property Profile of N-n-octanoylglycine
Property Insights of N-n-octanoylglycine
The XLogP value of 1.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-n-octanoylglycine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-n-octanoylglycine. Following Lipinski's Rule of Five, N-n-octanoylglycine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-n-octanoylglycine?
The CAS number of N-n-octanoylglycine is 64039-42-5.
What is the molecular formula of N-n-octanoylglycine?
The molecular formula of N-n-octanoylglycine is C10H10BrN3O2S.
What is the molecular weight of N-n-octanoylglycine?
The molecular weight of N-n-octanoylglycine is 314.9677 g/mol.
Where can I buy N-n-octanoylglycine?
You can request a quote for N-n-octanoylglycine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-n-octanoylglycine?
Yes, CoreyChem provides custom synthesis services for N-n-octanoylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.