N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol
TL;DR: N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol (CAS 117770-20-4) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S)-1-benzyl-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
Also Known As: BzDIA, BzDIG, N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol, (2R,3R,4S)-1-benzyl-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol, 3,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-1-(phenylmethyl)-, (2R-(2alpha(S*),3beta,4beta))-
Technical Specifications
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.13141 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.13141 Da |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
| SMILES | C1[C@@H]([C@@H]([C@H](N1CC2=CC=CC=C2)[C@H](CO)O)O)O |
| InChIKey | GJXFUTMBLXCJRJ-RVMXOQNASA-N |
Chemical Property Profile of N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol
Property Insights of N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol
The XLogP value of -0.4 indicates that N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol. Following Lipinski's Rule of Five, N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol has 4 hydrogen bond donor(s) and 5 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-Benzyl-1,4-dideoxy-1,4-imino-D-allitol?
The CAS number of N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol is 117770-20-4.
What is the molecular formula of N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol?
The molecular formula of N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol is C13H19NO4.
What is the molecular weight of N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol?
The molecular weight of N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol is 253.13141 g/mol.
Where can I buy N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol?
You can request a quote for N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol?
Yes, CoreyChem provides custom synthesis services for N-Benzyl-1,4-dideoxy-1,4-imino-D-allitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.