硫酸长春碱
TL;DR: 硫酸长春碱 (CAS 143-67-9) is a chemical compound with molecular formula C36H50N6O12S and molecular weight 790.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸长春碱
(2S,4R)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxamide
Also Known As: Hyp-glu-enkephalinamide, KST-1A1413, 2-Met-5-hyp-glucopyranosyl-enkephalin, Enkephalinamide, met(2)-hyp(5)glucopyranosyl-, O(1,5)-Glucopyranosyl-tyr-met-gly-phe-hyp-amide
| Molecular Formula | C36H50N6O12S |
|---|---|
| Molecular Weight | 790.32 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 790.32074 |
| Heavy Atoms | 55 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 143-67-9 |
|---|---|
| SMILES | CSCC[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@@H]2C[C@H](CN2)O)NC(=O)[C@H](CC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)N |
| InChIKey | FMUXKLQGGYTHKR-RJGUPLRSSA-N |
Product Overview
硫酸长春碱 (CAS 143-67-9), with molecular formula C36H50N6O12S and molecular weight 790.32 g/mol. IUPAC: (2S,4R)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxamide.
Chemical Property Profile of 硫酸长春碱
Property Insights of 硫酸长春碱
The XLogP value of -1.5 indicates that 硫酸长春碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 316.0 Ų indicates high polarity, suggesting 硫酸长春碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸长春碱 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 硫酸长春碱?
The CAS number of 硫酸长春碱 is 143-67-9.
What is the molecular formula of 硫酸长春碱?
The molecular formula of 硫酸长春碱 is C36H50N6O12S.
What is the molecular weight of 硫酸长春碱?
The molecular weight of 硫酸长春碱 is 790.32 g/mol.
Where can I buy 硫酸长春碱?
You can request a quote for 硫酸长春碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸长春碱?
Yes, KEHONG BIO provides custom synthesis services for 硫酸长春碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.