Oxytocin, penicillamyl(1)-thr(4)-
TL;DR: Oxytocin, penicillamyl(1)-thr(4)- (CAS 78578-24-2) is a chemical compound with molecular formula C44H69N11O12S2 and molecular weight 1007.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(4R,7S,10S,16S,19S)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-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]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: 1-PT-Oxytocin, 1-Penicillamyl-4-thr-oxytocin, Oxytocin, penicillamyl(1)-thr(4)-, Oxytocin, penicillamyl(1)-threonine(4)-, Oxytocin, 1-(3-mercapto-D-valine)-4-L-threonine-
| Molecular Formula | C44H69N11O12S2 |
|---|---|
| Molecular Weight | 1007.46 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 427.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 1007.45685 |
| Heavy Atoms | 69 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 78578-24-2 |
|---|---|
| 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)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O |
| InChIKey | JEABNJWJOWZLGU-FFABKICPSA-N |
Product Overview
Oxytocin, penicillamyl(1)-thr(4)- (CAS 78578-24-2), with molecular formula C44H69N11O12S2 and molecular weight 1007.46 g/mol. IUPAC: (2S)-1-[(4R,7S,10S,16S,19S)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-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]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Oxytocin, penicillamyl(1)-thr(4)-
Property Insights of Oxytocin, penicillamyl(1)-thr(4)-
The XLogP value of -0.9 indicates that Oxytocin, penicillamyl(1)-thr(4)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 427.0 Ų indicates high polarity, suggesting Oxytocin, penicillamyl(1)-thr(4)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, penicillamyl(1)-thr(4)- 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, penicillamyl(1)-thr(4)-?
The CAS number of Oxytocin, penicillamyl(1)-thr(4)- is 78578-24-2.
What is the molecular formula of Oxytocin, penicillamyl(1)-thr(4)-?
The molecular formula of Oxytocin, penicillamyl(1)-thr(4)- is C44H69N11O12S2.
What is the molecular weight of Oxytocin, penicillamyl(1)-thr(4)-?
The molecular weight of Oxytocin, penicillamyl(1)-thr(4)- is 1007.46 g/mol.
Where can I buy Oxytocin, penicillamyl(1)-thr(4)-?
You can request a quote for Oxytocin, penicillamyl(1)-thr(4)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytocin, penicillamyl(1)-thr(4)-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, penicillamyl(1)-thr(4)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.