beta-Casomorphin I
TL;DR: beta-Casomorphin I (CAS 5408-01-5) is a chemical compound with molecular formula C41H55N7O9 and molecular weight 789.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Also Known As: beta-Casomorphin I, Tyr-pro-gly-pro-phe-pro-ile, (2,5-dioxopyrrolidin-1-yl) 3-iodobenzoate, Tyrosyl-prolyl-glycyl-prolyl-phenylalanyl-prolyl-isoleucine, l-tyrosyl-l-prolylglycyl-l-prolyl-l-phenylalanyl-l-prolyl-l-isoleucine
| Molecular Formula | C41H55N7O9 |
|---|---|
| Molecular Weight | 789.41 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 789.4061 |
| Heavy Atoms | 57 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 5408-01-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)N |
| InChIKey | LQLSYASVDUKPRI-JKXTZXEVSA-N |
Product Overview
beta-Casomorphin I (CAS 5408-01-5), with molecular formula C41H55N7O9 and molecular weight 789.41 g/mol. IUPAC: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid.
Chemical Property Profile of beta-Casomorphin I
Property Insights of beta-Casomorphin I
The XLogP value of -0.2 indicates that beta-Casomorphin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting beta-Casomorphin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Casomorphin I has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Casomorphin I?
The CAS number of beta-Casomorphin I is 5408-01-5.
What is the molecular formula of beta-Casomorphin I?
The molecular formula of beta-Casomorphin I is C41H55N7O9.
What is the molecular weight of beta-Casomorphin I?
The molecular weight of beta-Casomorphin I is 789.41 g/mol.
Where can I buy beta-Casomorphin I?
You can request a quote for beta-Casomorphin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Casomorphin I?
Yes, KEHONG BIO provides custom synthesis services for beta-Casomorphin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.