Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-
TL;DR: Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- (CAS 4068-75-1) is a chemical compound with molecular formula C43H65N11O13S2 and molecular weight 1007.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-19-hydroxy-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: Oxhmpa, KST-1B4028, 1-(2-Hydroxy-3-mercaptopropionic acid)oxytocin, Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-, Oxytocin, 1-(L-2-hydroxy-3-mercaptopropanoic acid)-
| Molecular Formula | C43H65N11O13S2 |
|---|---|
| Molecular Weight | 1007.42 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 444.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 1007.4205 |
| Heavy Atoms | 69 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 4068-75-1 |
|---|---|
| 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)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | YPORZIRFDNUCBA-OMTOYRQASA-N |
Product Overview
Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- (CAS 4068-75-1), with molecular formula C43H65N11O13S2 and molecular weight 1007.42 g/mol. IUPAC: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-19-hydroxy-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 Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-
Property Insights of Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-
The XLogP value of -2.3 indicates that Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 444.0 Ų indicates high polarity, suggesting Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- 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 Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-?
The CAS number of Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- is 4068-75-1.
What is the molecular formula of Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-?
The molecular formula of Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- is C43H65N11O13S2.
What is the molecular weight of Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-?
The molecular weight of Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- is 1007.42 g/mol.
Where can I buy Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-?
You can request a quote for Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.