vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-
TL;DR: vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- (CAS 54649-07-9) is a chemical compound with molecular formula C50H72N12O12S2 and molecular weight 1096.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-20,20-diethyl-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: Sid 768700, 1-beta-Mercapto-beta,beta-diethylpropionic acid-8-lys-vasopressin, 1-beta-Mercapto-beta,beta-diethylpropionic acid-8-lysine vasopressin, Vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-lys-, Vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-lysine-
| Molecular Formula | C50H72N12O12S2 |
|---|---|
| Molecular Weight | 1096.48 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 21 |
| Exact Mass | 1096.4834 |
| Heavy Atoms | 76 |
| Complexity | 2040.0 |
Chemical Identifiers
| CAS Number | 54649-07-9 |
|---|---|
| SMILES | CCC1(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)CC |
| InChIKey | STUAOFXMPPGKBZ-UHFFFAOYSA-N |
Product Overview
vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- (CAS 54649-07-9), with molecular formula C50H72N12O12S2 and molecular weight 1096.48 g/mol. IUPAC: N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-20,20-diethyl-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 vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-
Property Insights of vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-
The XLogP value of -1.4 indicates that vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.0 Ų indicates high polarity, suggesting vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- has 12 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 vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-?
The CAS number of vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- is 54649-07-9.
What is the molecular formula of vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-?
The molecular formula of vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- is C50H72N12O12S2.
What is the molecular weight of vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-?
The molecular weight of vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- is 1096.48 g/mol.
Where can I buy vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-?
You can request a quote for vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-?
Yes, KEHONG BIO provides custom synthesis services for vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.