Fertirelin
TL;DR: Fertirelin (CAS 7399-53-3) is a chemical compound with molecular formula C55H76N16O12 and molecular weight 1152.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Also Known As: Fertirelin, Fertirelina, Fertireline, Fertirelinum, Fertirelin acetate
| Molecular Formula | C55H76N16O12 |
|---|---|
| Molecular Weight | 1152.58 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 432.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1152.5829 |
| Heavy Atoms | 83 |
| Complexity | 2280.0 |
Chemical Identifiers
| CAS Number | 7399-53-3 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6 |
| InChIKey | DGCPIBPDYFLAAX-YTAGXALCSA-N |
Product Overview
Fertirelin (CAS 7399-53-3), with molecular formula C55H76N16O12 and molecular weight 1152.58 g/mol. IUPAC: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide.
Chemical Property Profile of Fertirelin
Property Insights of Fertirelin
The XLogP value of -1.0 indicates that Fertirelin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 432.0 Ų indicates high polarity, suggesting Fertirelin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fertirelin has 15 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fertirelin?
The CAS number of Fertirelin is 7399-53-3.
What is the molecular formula of Fertirelin?
The molecular formula of Fertirelin is C55H76N16O12.
What is the molecular weight of Fertirelin?
The molecular weight of Fertirelin is 1152.58 g/mol.
Where can I buy Fertirelin?
You can request a quote for Fertirelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fertirelin?
Yes, KEHONG BIO provides custom synthesis services for Fertirelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.