Argiprestocin
TL;DR: Argiprestocin (CAS 9034-50-8) 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-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-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-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Argiprestocin, VASOTOCIN, Vasopressin, Arginine vasotocin, Arginine oxytocin
| 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 | 9034-50-8 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | OXDZADMCOWPSOC-UHFFFAOYSA-N |
Product Overview
Argiprestocin (CAS 9034-50-8), with molecular formula C43H67N15O12S2 and molecular weight 1049.45 g/mol. IUPAC: 1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-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-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Argiprestocin
Property Insights of Argiprestocin
The XLogP value of -5.1 indicates that Argiprestocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 515.0 Ų indicates high polarity, suggesting Argiprestocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Argiprestocin 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 Argiprestocin?
The CAS number of Argiprestocin is 9034-50-8.
What is the molecular formula of Argiprestocin?
The molecular formula of Argiprestocin is C43H67N15O12S2.
What is the molecular weight of Argiprestocin?
The molecular weight of Argiprestocin is 1049.45 g/mol.
Where can I buy Argiprestocin?
You can request a quote for Argiprestocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Argiprestocin?
Yes, KEHONG BIO provides custom synthesis services for Argiprestocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.