Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-
TL;DR: Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- (CAS 136429-81-7) is a chemical compound with molecular formula C43H68N12O11S2 and molecular weight 992.4572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,16R,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: PPTOO, Pen(1)-phe(2)-thr(4)-orn(8)-oxytocin, Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-, Oxytocin, penicillamine(1)-phenylalanyl(2)-threonyl(4)-ornithine(8)-, (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,16R,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Technical Specifications
| Molecular Formula | C43H68N12O11S2 |
| Molecular Weight | 992.4572 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 433.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 992.4572 Da |
| Heavy Atoms | 68 |
| Complexity | 1820.0 |
| 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=CC=C2)N)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O |
| InChIKey | WQFIVHQRSCEQQW-IHHZODIZSA-N |
Chemical Property Profile of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-
Property Insights of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-
The XLogP value of -2.4 indicates that Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 433.0 Ų indicates high polarity, suggesting Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- has 12 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-?
The CAS number of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- is 136429-81-7.
What is the molecular formula of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-?
The molecular formula of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- is C43H68N12O11S2.
What is the molecular weight of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-?
The molecular weight of Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- is 992.4572 g/mol.
Where can I buy Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-?
You can request a quote for Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)-?
Yes, CoreyChem provides custom synthesis services for Oxytocin, pen(1)-phe(2)-thr(4)-orn(8)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.