vasotocin, dansyl-Lys(8)-
TL;DR: vasotocin, dansyl-Lys(8)- (CAS 138915-83-0) is a chemical compound with molecular formula C55H78N14O14S3 and molecular weight 1254.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(4R,7R,10S,13S,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]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Dansyllysyl(8)-vasotocin, Vasotocin, dansyl-lys(8)-, Dansyl-lys(8)-vasotocin, Oxytocin, dansyl-lys(8)-, (2S)-1-[(4R,7R,10S,13S,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]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
| Molecular Formula | C55H78N14O14S3 |
|---|---|
| Molecular Weight | 1254.50 g/mol |
| LogP | -2.2867 |
| Topological Polar Surface Area | 448.94 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Exact Mass | 1254.4984 |
| Heavy Atoms | 86 |
| Complexity | 3084.1719 |
Chemical Identifiers
| CAS Number | 138915-83-0 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=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)N3CCC[C@H]3C(=O)N[C@@H](CCCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
Product Overview
vasotocin, dansyl-Lys(8)- (CAS 138915-83-0), with molecular formula C55H78N14O14S3 and molecular weight 1254.50 g/mol. IUPAC: (2S)-1-[(4R,7R,10S,13S,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]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of vasotocin, dansyl-Lys(8)-
Property Insights of vasotocin, dansyl-Lys(8)-
The XLogP value of -2.2867 indicates that vasotocin, dansyl-Lys(8)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 448.94 Ų indicates high polarity, suggesting vasotocin, dansyl-Lys(8)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, vasotocin, dansyl-Lys(8)- has 13 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of vasotocin, dansyl-Lys(8)-?
The CAS number of vasotocin, dansyl-Lys(8)- is 138915-83-0.
What is the molecular formula of vasotocin, dansyl-Lys(8)-?
The molecular formula of vasotocin, dansyl-Lys(8)- is C55H78N14O14S3.
What is the molecular weight of vasotocin, dansyl-Lys(8)-?
The molecular weight of vasotocin, dansyl-Lys(8)- is 1254.50 g/mol.
Where can I buy vasotocin, dansyl-Lys(8)-?
You can request a quote for vasotocin, dansyl-Lys(8)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vasotocin, dansyl-Lys(8)-?
Yes, KEHONG BIO provides custom synthesis services for vasotocin, dansyl-Lys(8)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.