oxytocin, 4-fluoro-Phe(2)-
TL;DR: oxytocin, 4-fluoro-Phe(2)- (CAS 15150-84-2) is a chemical compound with molecular formula C43H65FN12O11S2 and molecular weight 1008.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-fluorophenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Oxytocin, 4-fluoro-phe(2)-, 2-(p-Fluoro-phe)-oxytocin, Oxytocin, p-fluorophenylalanine(2)-, KST-1B0607, Oxytocin, 2-(4-fluoro-L-phenylalanine)-
| Molecular Formula | C43H65FN12O11S2 |
|---|---|
| Molecular Weight | 1008.43 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 430.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 1008.4321 |
| Heavy Atoms | 69 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 15150-84-2 |
|---|---|
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)F)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | DSHGMHGNKYMDIK-OMTOYRQASA-N |
Product Overview
oxytocin, 4-fluoro-Phe(2)- (CAS 15150-84-2), with molecular formula C43H65FN12O11S2 and molecular weight 1008.43 g/mol. IUPAC: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-fluorophenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of oxytocin, 4-fluoro-Phe(2)-
Property Insights of oxytocin, 4-fluoro-Phe(2)-
The XLogP value of -2.1 indicates that oxytocin, 4-fluoro-Phe(2)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 430.0 Ų indicates high polarity, suggesting oxytocin, 4-fluoro-Phe(2)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, oxytocin, 4-fluoro-Phe(2)- has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of oxytocin, 4-fluoro-Phe(2)-?
The CAS number of oxytocin, 4-fluoro-Phe(2)- is 15150-84-2.
What is the molecular formula of oxytocin, 4-fluoro-Phe(2)-?
The molecular formula of oxytocin, 4-fluoro-Phe(2)- is C43H65FN12O11S2.
What is the molecular weight of oxytocin, 4-fluoro-Phe(2)-?
The molecular weight of oxytocin, 4-fluoro-Phe(2)- is 1008.43 g/mol.
Where can I buy oxytocin, 4-fluoro-Phe(2)-?
You can request a quote for oxytocin, 4-fluoro-Phe(2)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for oxytocin, 4-fluoro-Phe(2)-?
Yes, KEHONG BIO provides custom synthesis services for oxytocin, 4-fluoro-Phe(2)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.