Oxytocin, 7-(azetidine-2-carboxylic acid)-
TL;DR: Oxytocin, 7-(azetidine-2-carboxylic acid)- (CAS 72302-74-0) is a chemical compound with molecular formula C42H64N12O12S2 and molecular weight 992.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-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]azetidine-2-carboxamide
Also Known As: Oxytocin, 7-(azetidine-2-carboxylic acid)-, 7-(Azetidine-2-carboxylic acid)oxytocin, Oxytocin, 7-L-2-azetidinecarboxylic acid-, n-{[(2s)-1-{[(4r,7s,10s,16s,19r)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2s)-butan-2-yl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}azetidin-2-yl]carbonyl}-l-leucylglycinamide, (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-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]azetidine-2-carboxamide
| Molecular Formula | C42H64N12O12S2 |
|---|---|
| Molecular Weight | 992.42 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 992.42084 |
| Heavy Atoms | 68 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 72302-74-0 |
|---|---|
| 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=C(C=C2)O)N)C(=O)N3CC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | YUKOFUHRYRGHMJ-QMWVNPSLSA-N |
Product Overview
Oxytocin, 7-(azetidine-2-carboxylic acid)- (CAS 72302-74-0), with molecular formula C42H64N12O12S2 and molecular weight 992.42 g/mol. IUPAC: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-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]azetidine-2-carboxamide.
Chemical Property Profile of Oxytocin, 7-(azetidine-2-carboxylic acid)-
Property Insights of Oxytocin, 7-(azetidine-2-carboxylic acid)-
The XLogP value of -2.9 indicates that Oxytocin, 7-(azetidine-2-carboxylic acid)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.0 Ų indicates high polarity, suggesting Oxytocin, 7-(azetidine-2-carboxylic acid)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 7-(azetidine-2-carboxylic 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, 7-(azetidine-2-carboxylic acid)-?
The CAS number of Oxytocin, 7-(azetidine-2-carboxylic acid)- is 72302-74-0.
What is the molecular formula of Oxytocin, 7-(azetidine-2-carboxylic acid)-?
The molecular formula of Oxytocin, 7-(azetidine-2-carboxylic acid)- is C42H64N12O12S2.
What is the molecular weight of Oxytocin, 7-(azetidine-2-carboxylic acid)-?
The molecular weight of Oxytocin, 7-(azetidine-2-carboxylic acid)- is 992.42 g/mol.
Where can I buy Oxytocin, 7-(azetidine-2-carboxylic acid)-?
You can request a quote for Oxytocin, 7-(azetidine-2-carboxylic acid)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytocin, 7-(azetidine-2-carboxylic acid)-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 7-(azetidine-2-carboxylic acid)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.