oxytocin, N-acetyl-2-O-methyl-Tyr-
TL;DR: oxytocin, N-acetyl-2-O-methyl-Tyr- (CAS 35582-73-1) is a chemical compound with molecular formula C46H70N12O13S2 and molecular weight 1062.46 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-acetamido-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-methoxyphenyl)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: AMTO, ACME-OXT, Oxytocin, N-acetyl-2-O-methyl-tyr-, N-acetyl-2-O-methyl-Tyr-oxytocin, N-acetyl-2-O-methyltyrosine-oxytocin
| Molecular Formula | C46H70N12O13S2 |
|---|---|
| Molecular Weight | 1062.46 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 442.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Exact Mass | 1062.4626 |
| Heavy Atoms | 73 |
| Complexity | 2010.0 |
Chemical Identifiers
| CAS Number | 35582-73-1 |
|---|---|
| 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)OC)NC(=O)C)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 | DJUKMSKWRAHKNJ-KQOKFJBASA-N |
Product Overview
oxytocin, N-acetyl-2-O-methyl-Tyr- (CAS 35582-73-1), with molecular formula C46H70N12O13S2 and molecular weight 1062.46 g/mol. IUPAC: (2S)-1-[(4R,7S,10S,16S,19R)-19-acetamido-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-methoxyphenyl)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, N-acetyl-2-O-methyl-Tyr-
Property Insights of oxytocin, N-acetyl-2-O-methyl-Tyr-
The XLogP value of -2.0 indicates that oxytocin, N-acetyl-2-O-methyl-Tyr- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 442.0 Ų indicates high polarity, suggesting oxytocin, N-acetyl-2-O-methyl-Tyr- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, oxytocin, N-acetyl-2-O-methyl-Tyr- 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, N-acetyl-2-O-methyl-Tyr-?
The CAS number of oxytocin, N-acetyl-2-O-methyl-Tyr- is 35582-73-1.
What is the molecular formula of oxytocin, N-acetyl-2-O-methyl-Tyr-?
The molecular formula of oxytocin, N-acetyl-2-O-methyl-Tyr- is C46H70N12O13S2.
What is the molecular weight of oxytocin, N-acetyl-2-O-methyl-Tyr-?
The molecular weight of oxytocin, N-acetyl-2-O-methyl-Tyr- is 1062.46 g/mol.
Where can I buy oxytocin, N-acetyl-2-O-methyl-Tyr-?
You can request a quote for oxytocin, N-acetyl-2-O-methyl-Tyr- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for oxytocin, N-acetyl-2-O-methyl-Tyr-?
Yes, KEHONG BIO provides custom synthesis services for oxytocin, N-acetyl-2-O-methyl-Tyr- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.