Threonyl-(2,6-diamino-4-hexynoate)proline
TL;DR: Threonyl-(2,6-diamino-4-hexynoate)proline (CAS 987-18-8) is a chemical compound with molecular formula C15H24N4O5 and molecular weight 340.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2R)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid
Also Known As: Thr-dah-pro, KST-1B9534, Threonyl-2,6-diamino-4-hexynoate proline, Threonyl-(2,6-diamino-4-hexynoate)proline, 1-[(2r)-6-amino-2-(l-threonylamino)hex-4-ynoyl]-l-proline
| Molecular Formula | C15H24N4O5 |
|---|---|
| Molecular Weight | 340.17 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.17468 |
| Heavy Atoms | 24 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 987-18-8 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@H](CC#CCN)C(=O)N1CCC[C@H]1C(=O)O)N)O |
| InChIKey | ANXYVYKBGQLINJ-WYUUTHIRSA-N |
Product Overview
Threonyl-(2,6-diamino-4-hexynoate)proline (CAS 987-18-8), with molecular formula C15H24N4O5 and molecular weight 340.17 g/mol. IUPAC: (2S)-1-[(2R)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Threonyl-(2,6-diamino-4-hexynoate)proline
Property Insights of Threonyl-(2,6-diamino-4-hexynoate)proline
The XLogP value of -5.6 indicates that Threonyl-(2,6-diamino-4-hexynoate)proline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Threonyl-(2,6-diamino-4-hexynoate)proline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Threonyl-(2,6-diamino-4-hexynoate)proline has 5 hydrogen bond donor(s) and 7 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 Threonyl-(2,6-diamino-4-hexynoate)proline?
The CAS number of Threonyl-(2,6-diamino-4-hexynoate)proline is 987-18-8.
What is the molecular formula of Threonyl-(2,6-diamino-4-hexynoate)proline?
The molecular formula of Threonyl-(2,6-diamino-4-hexynoate)proline is C15H24N4O5.
What is the molecular weight of Threonyl-(2,6-diamino-4-hexynoate)proline?
The molecular weight of Threonyl-(2,6-diamino-4-hexynoate)proline is 340.17 g/mol.
Where can I buy Threonyl-(2,6-diamino-4-hexynoate)proline?
You can request a quote for Threonyl-(2,6-diamino-4-hexynoate)proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Threonyl-(2,6-diamino-4-hexynoate)proline?
Yes, KEHONG BIO provides custom synthesis services for Threonyl-(2,6-diamino-4-hexynoate)proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.