Rotigaptide
TL;DR: Rotigaptide (CAS 355151-12-1) is a chemical compound with molecular formula C28H39N7O9 and molecular weight 617.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
Also Known As: Rotigaptide, rotigaptida, rotigaptidum, ZP123 peptide, Rotigaptide [USAN]
| Molecular Formula | C28H39N7O9 |
|---|---|
| Molecular Weight | 617.28 g/mol |
| LogP | -3.3854 |
| Topological Polar Surface Area | 240.57 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 617.28094 |
| Heavy Atoms | 44 |
| Complexity | 1272.421 |
Chemical Identifiers
| CAS Number | 355151-12-1 |
|---|---|
| SMILES | C[C@H](C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H]1C[C@@H](CN1C(=O)[C@H]2CCCN2C(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)C)O |
Product Overview
Rotigaptide (CAS 355151-12-1), with molecular formula C28H39N7O9 and molecular weight 617.28 g/mol. IUPAC: (2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide.
Chemical Property Profile of Rotigaptide
Property Insights of Rotigaptide
The XLogP value of -3.3854 indicates that Rotigaptide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.57 Ų indicates high polarity, suggesting Rotigaptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rotigaptide has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rotigaptide?
The CAS number of Rotigaptide is 355151-12-1.
What is the molecular formula of Rotigaptide?
The molecular formula of Rotigaptide is C28H39N7O9.
What is the molecular weight of Rotigaptide?
The molecular weight of Rotigaptide is 617.28 g/mol.
Where can I buy Rotigaptide?
You can request a quote for Rotigaptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotigaptide?
Yes, KEHONG BIO provides custom synthesis services for Rotigaptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.