1-Deamino-2-Trp-4-Val-8-Orn-OT
TL;DR: 1-Deamino-2-Trp-4-Val-8-Orn-OT (CAS 92407-79-9) is a chemical compound with molecular formula C44H66N12O10S2 and molecular weight 986.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Cav 259, 1-Deamino-2-trp-4-val-8-orn-OT, 1-Deamino-2-trp-4-val-8-orn-oxytocin, Oxytocin, 1-desamino-trp(2)-val(4)-orn(8)-, Oxytocin, 1-desamino-tryptophyl(2)-valyl(4)-ornithine(8)-
| Molecular Formula | C44H66N12O10S2 |
|---|---|
| Molecular Weight | 986.45 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 403.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 986.44666 |
| Heavy Atoms | 68 |
| Complexity | 1830.0 |
Chemical Identifiers
| CAS Number | 92407-79-9 |
|---|---|
| SMILES | CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)C |
| InChIKey | LZOGMSOALRSJND-DLRRGPDFSA-N |
Product Overview
1-Deamino-2-Trp-4-Val-8-Orn-OT (CAS 92407-79-9), with molecular formula C44H66N12O10S2 and molecular weight 986.45 g/mol. IUPAC: (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of 1-Deamino-2-Trp-4-Val-8-Orn-OT
Property Insights of 1-Deamino-2-Trp-4-Val-8-Orn-OT
The XLogP value of -1.1 indicates that 1-Deamino-2-Trp-4-Val-8-Orn-OT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 403.0 Ų indicates high polarity, suggesting 1-Deamino-2-Trp-4-Val-8-Orn-OT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Deamino-2-Trp-4-Val-8-Orn-OT has 11 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Deamino-2-Trp-4-Val-8-Orn-OT?
The CAS number of 1-Deamino-2-Trp-4-Val-8-Orn-OT is 92407-79-9.
What is the molecular formula of 1-Deamino-2-Trp-4-Val-8-Orn-OT?
The molecular formula of 1-Deamino-2-Trp-4-Val-8-Orn-OT is C44H66N12O10S2.
What is the molecular weight of 1-Deamino-2-Trp-4-Val-8-Orn-OT?
The molecular weight of 1-Deamino-2-Trp-4-Val-8-Orn-OT is 986.45 g/mol.
Where can I buy 1-Deamino-2-Trp-4-Val-8-Orn-OT?
You can request a quote for 1-Deamino-2-Trp-4-Val-8-Orn-OT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Deamino-2-Trp-4-Val-8-Orn-OT?
Yes, KEHONG BIO provides custom synthesis services for 1-Deamino-2-Trp-4-Val-8-Orn-OT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.