(2-O-Methyltyrosine)oxytocin
TL;DR: (2-O-Methyltyrosine)oxytocin (CAS 2706-70-9) is a chemical compound with molecular formula C44H68N12O12S2 and molecular weight 1020.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-methoxyphenyl)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: (2-O-Methyltyrosine)oxytocin, Oxytocin, 2-(O-methyl-l-tyrosine)-, EINECS 220-297-2, OXYTOCIN, 2-(3-(P-METHOXYPHENYL)-L-ALANINE)-
| Molecular Formula | C44H68N12O12S2 |
|---|---|
| Molecular Weight | 1020.45 g/mol |
| LogP | -3.3056 |
| Topological Polar Surface Area | 388.53 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 1020.4521 |
| Heavy Atoms | 70 |
| Complexity | 2064.8484 |
Chemical Identifiers
| CAS Number | 2706-70-9 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=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)OC)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
Product Overview
(2-O-Methyltyrosine)oxytocin (CAS 2706-70-9), with molecular formula C44H68N12O12S2 and molecular weight 1020.45 g/mol. IUPAC: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-methoxyphenyl)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 (2-O-Methyltyrosine)oxytocin
Property Insights of (2-O-Methyltyrosine)oxytocin
The XLogP value of -3.3056 indicates that (2-O-Methyltyrosine)oxytocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 388.53 Ų indicates high polarity, suggesting (2-O-Methyltyrosine)oxytocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-O-Methyltyrosine)oxytocin 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 (2-O-Methyltyrosine)oxytocin?
The CAS number of (2-O-Methyltyrosine)oxytocin is 2706-70-9.
What is the molecular formula of (2-O-Methyltyrosine)oxytocin?
The molecular formula of (2-O-Methyltyrosine)oxytocin is C44H68N12O12S2.
What is the molecular weight of (2-O-Methyltyrosine)oxytocin?
The molecular weight of (2-O-Methyltyrosine)oxytocin is 1020.45 g/mol.
Where can I buy (2-O-Methyltyrosine)oxytocin?
You can request a quote for (2-O-Methyltyrosine)oxytocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-O-Methyltyrosine)oxytocin?
Yes, KEHONG BIO provides custom synthesis services for (2-O-Methyltyrosine)oxytocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.