Oxypressin
TL;DR: Oxypressin (CAS 642-35-3) is a chemical compound with molecular formula C46H64N12O12S2 and molecular weight 1040.42 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-benzyl-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: Oxypressin, 3-Phe-oxytocin, [Phe3]oxytocin, [Phe3]OT, Oxytocin, phe(3)-
| Molecular Formula | C46H64N12O12S2 |
|---|---|
| Molecular Weight | 1040.42 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 1040.4208 |
| Heavy Atoms | 72 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 642-35-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N |
| InChIKey | WTHKESHUHBGMGM-DZCXQCEKSA-N |
Product Overview
Oxypressin (CAS 642-35-3), with molecular formula C46H64N12O12S2 and molecular weight 1040.42 g/mol. IUPAC: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-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 Oxypressin
Property Insights of Oxypressin
The XLogP value of -2.3 indicates that Oxypressin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.0 Ų indicates high polarity, suggesting Oxypressin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxypressin 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 Oxypressin?
The CAS number of Oxypressin is 642-35-3.
What is the molecular formula of Oxypressin?
The molecular formula of Oxypressin is C46H64N12O12S2.
What is the molecular weight of Oxypressin?
The molecular weight of Oxypressin is 1040.42 g/mol.
Where can I buy Oxypressin?
You can request a quote for Oxypressin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxypressin?
Yes, KEHONG BIO provides custom synthesis services for Oxypressin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.