Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-
TL;DR: Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- (CAS 113789-44-9) is a chemical compound with molecular formula C48H74N12O12S2 and molecular weight 1074.50 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-[(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-3,11,14,17,20,23-hexazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Mepaot, 1'-(1'-Methyl-4'-thiopiperidine)acetic acid oxytocin, Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-, Oxytocin, 1-(4-mercapto-1-methyl-4-piperidineacetic acid)-, Oxytocin,1'-(1'-methyl-4'-thiopiperidine)acetic acid
| Molecular Formula | C48H74N12O12S2 |
|---|---|
| Molecular Weight | 1074.50 g/mol |
| LogP | -2.0814 |
| Topological Polar Surface Area | 376.75 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 1074.499 |
| Heavy Atoms | 74 |
| Complexity | 2213.0376 |
Chemical Identifiers
| CAS Number | 113789-44-9 |
|---|---|
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC2(CCN(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 |
Product Overview
Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- (CAS 113789-44-9), with molecular formula C48H74N12O12S2 and molecular weight 1074.50 g/mol. IUPAC: (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-3,11,14,17,20,23-hexazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-
Property Insights of Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-
The XLogP value of -2.0814 indicates that Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 376.75 Ų indicates high polarity, suggesting Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- has 11 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'-(1'-methyl-4'-thiopiperidine)acetic acid-?
The CAS number of Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- is 113789-44-9.
What is the molecular formula of Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-?
The molecular formula of Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- is C48H74N12O12S2.
What is the molecular weight of Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-?
The molecular weight of Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- is 1074.50 g/mol.
Where can I buy Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-?
You can request a quote for Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic 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'-(1'-methyl-4'-thiopiperidine)acetic acid-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.