Jmv 81
TL;DR: Jmv 81 (CAS 113282-22-7) is a chemical compound with molecular formula C50H65N7O15S2 and molecular weight 1067.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid
Also Known As: Jmv 81, 1-(2-Phenylethyl) N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-methionyl)glycyl)-L-tryptophyl)-L-norleucyl)-L-aspartate, (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid, Boc-O-Sulfo-L-Tyr-L-Met-Gly-L-Trp-L-Nle-L-Asp-(2-phenylethyl)OH, L-Aspartic acid, N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-methionyl)glycyl)-L-tryptophyl)-L-norleucyl)-, 1-(2-phenylethyl) ester
| Molecular Formula | C50H65N7O15S2 |
|---|---|
| Molecular Weight | 1067.40 g/mol |
| LogP | 3.2873 |
| Topological Polar Surface Area | 326.82 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 29 |
| Exact Mass | 1067.398 |
| Heavy Atoms | 74 |
| Complexity | 2660.777 |
Chemical Identifiers
| CAS Number | 113282-22-7 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)OCCC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)OC(C)(C)C |
Product Overview
Jmv 81 (CAS 113282-22-7), with molecular formula C50H65N7O15S2 and molecular weight 1067.40 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid.
Chemical Property Profile of Jmv 81
Property Insights of Jmv 81
The XLogP value of 3.2873 indicates that Jmv 81 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 326.82 Ų indicates high polarity, suggesting Jmv 81 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jmv 81 has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Jmv 81?
The CAS number of Jmv 81 is 113282-22-7.
What is the molecular formula of Jmv 81?
The molecular formula of Jmv 81 is C50H65N7O15S2.
What is the molecular weight of Jmv 81?
The molecular weight of Jmv 81 is 1067.40 g/mol.
Where can I buy Jmv 81?
You can request a quote for Jmv 81 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jmv 81?
Yes, KEHONG BIO provides custom synthesis services for Jmv 81 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.