1,4-Dideoxy-1,4-iminothreitol
TL;DR: 1,4-Dideoxy-1,4-iminothreitol (CAS 131565-87-2) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-pyrrolidine-3,4-diol
Also Known As: (3S,4S)-pyrrolidine-3,4-diol, 1,4-Ddit, Jeffamine 400, 1,4-Dideoxy-1,4-iminothreitol, Jeffamine 2000
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 131565-87-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](CN1)O)O |
| InChIKey | JCZPOYAMKJFOLA-IMJSIDKUSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dideoxy-1,4-iminothreitol (CAS 131565-87-2), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: (3S,4S)-pyrrolidine-3,4-diol.
Chemical Property Profile of 1,4-Dideoxy-1,4-iminothreitol
Property Insights of 1,4-Dideoxy-1,4-iminothreitol
The XLogP value of -1.7 indicates that 1,4-Dideoxy-1,4-iminothreitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.5 Ų, 1,4-Dideoxy-1,4-iminothreitol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dideoxy-1,4-iminothreitol 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 1,4-Dideoxy-1,4-iminothreitol?
The CAS number of 1,4-Dideoxy-1,4-iminothreitol is 131565-87-2.
What is the molecular formula of 1,4-Dideoxy-1,4-iminothreitol?
The molecular formula of 1,4-Dideoxy-1,4-iminothreitol is C4H9NO2.
What is the molecular weight of 1,4-Dideoxy-1,4-iminothreitol?
The molecular weight of 1,4-Dideoxy-1,4-iminothreitol is 103.06 g/mol.
Where can I buy 1,4-Dideoxy-1,4-iminothreitol?
You can request a quote for 1,4-Dideoxy-1,4-iminothreitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dideoxy-1,4-iminothreitol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dideoxy-1,4-iminothreitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.