oxytocin, 1-desamino-(O-Et-Tyr)(2)-
TL;DR: oxytocin, 1-desamino-(O-Et-Tyr)(2)- (CAS 77648-79-4) is a chemical compound with molecular formula C45H69N11O12S2 and molecular weight 1019.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: dE-Oxy, deamino-ethyl-oxytocin, 1-Deamino-2-tyr(ethyl)oxytocin, Oxytocin, 1-desamino-(O-Et-tyr)(2)-, 1-deamino-2-Tyr(ethyl)-oxytocin
| Molecular Formula | C45H69N11O12S2 |
|---|---|
| Molecular Weight | 1019.46 g/mol |
| LogP | -1.8527 |
| Topological Polar Surface Area | 362.51 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 1019.45685 |
| Heavy Atoms | 70 |
| Complexity | 2045.7058 |
Chemical Identifiers
| CAS Number | 77648-79-4 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
Product Overview
oxytocin, 1-desamino-(O-Et-Tyr)(2)- (CAS 77648-79-4), with molecular formula C45H69N11O12S2 and molecular weight 1019.46 g/mol. IUPAC: N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-ethoxyphenyl)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-desamino-(O-Et-Tyr)(2)-
Property Insights of oxytocin, 1-desamino-(O-Et-Tyr)(2)-
The XLogP value of -1.8527 indicates that oxytocin, 1-desamino-(O-Et-Tyr)(2)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 362.51 Ų indicates high polarity, suggesting oxytocin, 1-desamino-(O-Et-Tyr)(2)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, oxytocin, 1-desamino-(O-Et-Tyr)(2)- has 10 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 oxytocin, 1-desamino-(O-Et-Tyr)(2)-?
The CAS number of oxytocin, 1-desamino-(O-Et-Tyr)(2)- is 77648-79-4.
What is the molecular formula of oxytocin, 1-desamino-(O-Et-Tyr)(2)-?
The molecular formula of oxytocin, 1-desamino-(O-Et-Tyr)(2)- is C45H69N11O12S2.
What is the molecular weight of oxytocin, 1-desamino-(O-Et-Tyr)(2)-?
The molecular weight of oxytocin, 1-desamino-(O-Et-Tyr)(2)- is 1019.46 g/mol.
Where can I buy oxytocin, 1-desamino-(O-Et-Tyr)(2)-?
You can request a quote for oxytocin, 1-desamino-(O-Et-Tyr)(2)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for oxytocin, 1-desamino-(O-Et-Tyr)(2)-?
Yes, KEHONG BIO provides custom synthesis services for oxytocin, 1-desamino-(O-Et-Tyr)(2)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.