Pentigetide
TL;DR: Pentigetide (CAS 66921-17-3) is a chemical compound with molecular formula C22H36N8O11 and molecular weight 588.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Pentigetide, Pentyde, Pentigetidum, Pentigetida, Hamburger Pentapeptide
| Molecular Formula | C22H36N8O11 |
|---|---|
| Molecular Weight | 588.25 g/mol |
| LogP | -9.2 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 588.25037 |
| Heavy Atoms | 41 |
| Complexity | 1030.0 |
| Melting Point | 185 - 200 °C |
Chemical Identifiers
| CAS Number | 66921-17-3 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChIKey | KQDIGHIVUUADBZ-PEDHHIEDSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentigetide (CAS 66921-17-3), with molecular formula C22H36N8O11 and molecular weight 588.25 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of Pentigetide
Property Insights of Pentigetide
The XLogP value of -9.2 indicates that Pentigetide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 330.0 Ų indicates high polarity, suggesting Pentigetide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentigetide has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentigetide?
The CAS number of Pentigetide is 66921-17-3.
What is the molecular formula of Pentigetide?
The molecular formula of Pentigetide is C22H36N8O11.
What is the molecular weight of Pentigetide?
The molecular weight of Pentigetide is 588.25 g/mol.
Where can I buy Pentigetide?
You can request a quote for Pentigetide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentigetide?
Yes, KEHONG BIO provides custom synthesis services for Pentigetide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.