Det-tyr(Et)ovt
TL;DR: Det-tyr(Et)ovt (CAS 77327-44-7) is a chemical compound with molecular formula C48H76N12O12S2 and molecular weight 1076.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-ethoxyphenyl)methyl]-20,20-diethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Det-tyr(Et)ovt, Vasotocin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-(oet-tyr)(2)-orn(8)-, 1-(beta-Mercapto-beta,beta-diethylpropionic acid)-2-(oet-tyr)-8-orn-vasotocin, Vasotocin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-O-ethyltyrosyl(2)-ornithine(8)-, N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-ethoxyphenyl)methyl]-20,20-diethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
| Molecular Formula | C48H76N12O12S2 |
|---|---|
| Molecular Weight | 1076.51 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 439.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Exact Mass | 1076.5146 |
| Heavy Atoms | 74 |
| Complexity | 1970.0 |
Chemical Identifiers
| CAS Number | 77327-44-7 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC(CC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)(CC)CC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | UYGMRHUEMYYFAR-UHFFFAOYSA-N |
Product Overview
Det-tyr(Et)ovt (CAS 77327-44-7), with molecular formula C48H76N12O12S2 and molecular weight 1076.51 g/mol. IUPAC: N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-ethoxyphenyl)methyl]-20,20-diethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Det-tyr(Et)ovt
Property Insights of Det-tyr(Et)ovt
The XLogP value of -1.3 indicates that Det-tyr(Et)ovt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 439.0 Ų indicates high polarity, suggesting Det-tyr(Et)ovt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Det-tyr(Et)ovt 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 Det-tyr(Et)ovt?
The CAS number of Det-tyr(Et)ovt is 77327-44-7.
What is the molecular formula of Det-tyr(Et)ovt?
The molecular formula of Det-tyr(Et)ovt is C48H76N12O12S2.
What is the molecular weight of Det-tyr(Et)ovt?
The molecular weight of Det-tyr(Et)ovt is 1076.51 g/mol.
Where can I buy Det-tyr(Et)ovt?
You can request a quote for Det-tyr(Et)ovt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Det-tyr(Et)ovt?
Yes, KEHONG BIO provides custom synthesis services for Det-tyr(Et)ovt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.