Oxytocin, 4-L-asparagine-
TL;DR: Oxytocin, 4-L-asparagine- (CAS 4117-65-1) 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.
1-[(7S,10S,16S,19R)-19-amino-7,10-bis(2-amino-2-oxoethyl)-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]pyrrolidine-2-carboxamide
Also Known As: Aspartocin, Aspartocina, Aspartocine, Aspartocinum, 4-Asparagine oxytocin
| 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 | 16 |
| Exact Mass | 992.42084 |
| Heavy Atoms | 68 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 4117-65-1 |
|---|---|
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CC(=O)N |
| InChIKey | VIFAMMRBZBWEID-JOHMJIRDSA-N |
Product Overview
Oxytocin, 4-L-asparagine- (CAS 4117-65-1), with molecular formula C42H64N12O12S2 and molecular weight 992.42 g/mol. IUPAC: 1-[(7S,10S,16S,19R)-19-amino-7,10-bis(2-amino-2-oxoethyl)-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]pyrrolidine-2-carboxamide.
Chemical Property Profile of Oxytocin, 4-L-asparagine-
Property Insights of Oxytocin, 4-L-asparagine-
The XLogP value of -2.9 indicates that Oxytocin, 4-L-asparagine- 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, 4-L-asparagine- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxytocin, 4-L-asparagine- 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, 4-L-asparagine-?
The CAS number of Oxytocin, 4-L-asparagine- is 4117-65-1.
What is the molecular formula of Oxytocin, 4-L-asparagine-?
The molecular formula of Oxytocin, 4-L-asparagine- is C42H64N12O12S2.
What is the molecular weight of Oxytocin, 4-L-asparagine-?
The molecular weight of Oxytocin, 4-L-asparagine- is 992.42 g/mol.
Where can I buy Oxytocin, 4-L-asparagine-?
You can request a quote for Oxytocin, 4-L-asparagine- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytocin, 4-L-asparagine-?
Yes, KEHONG BIO provides custom synthesis services for Oxytocin, 4-L-asparagine- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.