Surfagon
TL;DR: Surfagon (CAS 52435-06-0) is a chemical compound with molecular formula C56H78N16O12 and molecular weight 1166.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]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: Surfagon, Dalareline, Dalarelin, leuprolide IS, LHRH-A2
| Molecular Formula | C56H78N16O12 |
|---|---|
| Molecular Weight | 1166.60 g/mol |
| LogP | -2.4643 |
| Topological Polar Surface Area | 431.54 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1166.5985 |
| Heavy Atoms | 84 |
| Complexity | 2981.8784 |
Chemical Identifiers
| CAS Number | 52435-06-0 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6 |
Product Overview
Surfagon (CAS 52435-06-0), with molecular formula C56H78N16O12 and molecular weight 1166.60 g/mol. IUPAC: N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]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 Surfagon
Property Insights of Surfagon
The XLogP value of -2.4643 indicates that Surfagon is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 431.54 Ų indicates high polarity, suggesting Surfagon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Surfagon 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 Surfagon?
The CAS number of Surfagon is 52435-06-0.
What is the molecular formula of Surfagon?
The molecular formula of Surfagon is C56H78N16O12.
What is the molecular weight of Surfagon?
The molecular weight of Surfagon is 1166.60 g/mol.
Where can I buy Surfagon?
You can request a quote for Surfagon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Surfagon?
Yes, KEHONG BIO provides custom synthesis services for Surfagon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.