Arginine Vasotocin
TL;DR: Arginine Vasotocin (CAS 113-80-4) is a chemical compound with molecular formula C43H67N15O12S2 and molecular weight 1049.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)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]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Argiprestocin, Arginine vasotocin, Arg-vasotocin, 8-Arg-vasotocin, [Arg8]vasotocin
| Molecular Formula | C43H67N15O12S2 |
|---|---|
| Molecular Weight | 1049.45 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 515.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Exact Mass | 1049.4535 |
| Heavy Atoms | 72 |
| Complexity | 1990.0 |
Chemical Identifiers
| CAS Number | 113-80-4 |
|---|---|
| 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)N)C(=O)N3CCCC3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | OXDZADMCOWPSOC-ICBIOJHSSA-N |
Product Overview
Arginine Vasotocin (CAS 113-80-4), with molecular formula C43H67N15O12S2 and molecular weight 1049.45 g/mol. IUPAC: 1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)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]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Arginine Vasotocin
Property Insights of Arginine Vasotocin
The XLogP value of -5.1 indicates that Arginine Vasotocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 515.0 Ų indicates high polarity, suggesting Arginine Vasotocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arginine Vasotocin has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arginine Vasotocin?
The CAS number of Arginine Vasotocin is 113-80-4.
What is the molecular formula of Arginine Vasotocin?
The molecular formula of Arginine Vasotocin is C43H67N15O12S2.
What is the molecular weight of Arginine Vasotocin?
The molecular weight of Arginine Vasotocin is 1049.45 g/mol.
Where can I buy Arginine Vasotocin?
You can request a quote for Arginine Vasotocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arginine Vasotocin?
Yes, KEHONG BIO provides custom synthesis services for Arginine Vasotocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.