oxytocin, 1-(N-maleoyl-Gly)Cys-
TL;DR: oxytocin, 1-(N-maleoyl-Gly)Cys- (CAS 57078-96-3) is a chemical compound with molecular formula C49H69N13O15S2 and molecular weight 1143.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-19-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: OXMGC, 10-Methyl-5H-phenazine, 1-(N-Maleoyl-gly)cys-oxytocin, Oxytocin, 1-(N-maleoyl-gly)cys-, KST-1B6747
| Molecular Formula | C49H69N13O15S2 |
|---|---|
| Molecular Weight | 1143.45 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 491.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 1143.4478 |
| Heavy Atoms | 79 |
| Complexity | 2330.0 |
Chemical Identifiers
| CAS Number | 57078-96-3 |
|---|---|
| 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)O)NC(=O)CN3C(=O)C=CC3=O)C(=O)N4CCCC4C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | OHIJPHVVBMSPDN-WANBVXAASA-N |
Product Overview
oxytocin, 1-(N-maleoyl-Gly)Cys- (CAS 57078-96-3), with molecular formula C49H69N13O15S2 and molecular weight 1143.45 g/mol. IUPAC: N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-19-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of oxytocin, 1-(N-maleoyl-Gly)Cys-
Property Insights of oxytocin, 1-(N-maleoyl-Gly)Cys-
The XLogP value of -3.0 indicates that oxytocin, 1-(N-maleoyl-Gly)Cys- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 491.0 Ų indicates high polarity, suggesting oxytocin, 1-(N-maleoyl-Gly)Cys- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, oxytocin, 1-(N-maleoyl-Gly)Cys- has 12 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of oxytocin, 1-(N-maleoyl-Gly)Cys-?
The CAS number of oxytocin, 1-(N-maleoyl-Gly)Cys- is 57078-96-3.
What is the molecular formula of oxytocin, 1-(N-maleoyl-Gly)Cys-?
The molecular formula of oxytocin, 1-(N-maleoyl-Gly)Cys- is C49H69N13O15S2.
What is the molecular weight of oxytocin, 1-(N-maleoyl-Gly)Cys-?
The molecular weight of oxytocin, 1-(N-maleoyl-Gly)Cys- is 1143.45 g/mol.
Where can I buy oxytocin, 1-(N-maleoyl-Gly)Cys-?
You can request a quote for oxytocin, 1-(N-maleoyl-Gly)Cys- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for oxytocin, 1-(N-maleoyl-Gly)Cys-?
Yes, KEHONG BIO provides custom synthesis services for oxytocin, 1-(N-maleoyl-Gly)Cys- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.