Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-
TL;DR: Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- (CAS 113789-43-8) is a chemical compound with molecular formula C49H75N11O12S2 and molecular weight 1073.5038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(10R,13S,16S,22S)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-[(2S)-butan-2-yl]-22-[(4-hydroxyphenyl)methyl]-3-methyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Mecaot, 1'-(1'-Thio-4'-methylcyclohexane)acetic acid oxytocin, Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-, Oxytocin, 1-(1-mercapto-4-methylcyclohexaneacetic acid)-, oxytocin, 1/'-(1/'-thio-4/'-methylcyclohexane)acetic acid-
Technical Specifications
| Molecular Formula | C49H75N11O12S2 |
| Molecular Weight | 1073.5038 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 424.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 1073.5038 Da |
| Heavy Atoms | 74 |
| Complexity | 2030.0 |
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC2(CCC(CC2)C)CC(=O)N[C@H](C(=O)N1)CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | QGWBGSISQDGWFE-UJFKYAOLSA-N |
Chemical Property Profile of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-
Property Insights of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-. The TPSA of 424.0 Ų indicates high polarity, suggesting Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- has 11 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-?
The CAS number of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- is 113789-43-8.
What is the molecular formula of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-?
The molecular formula of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- is C49H75N11O12S2.
What is the molecular weight of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-?
The molecular weight of Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- is 1073.5038 g/mol.
Where can I buy Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-?
You can request a quote for Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid-?
Yes, CoreyChem provides custom synthesis services for Oxytocin, 1'-(1'-thio-4'-methylcyclohexane)acetic acid- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.