GV4Uzc9M2H
TL;DR: GV4Uzc9M2H (CAS 150210-46-1) is a chemical compound with molecular formula C45H53N9O11S and molecular weight 927.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,5S,8S,11S,14S,17R)-8-(carboxymethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetic acid
Also Known As: TAK-044 free acid, TAK 044, 2-[(2R,5S,8S,11S,14S,17R)-8-(carboxymethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetic acid, Cyclo[(alphaS)-alpha-amino-gamma-oxo-4-phenyl-1-piperazinebutanoyl-L-alpha-aspartyl-(2S)-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-alpha-aspartyl], Cyclo[4-oxo-4-(4-phenyl-1-piperazinyl)-L-2-aminobutanoyl-L-alpha-aspartyl-D-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-alpha-aspartyl]
| Molecular Formula | C45H53N9O11S |
|---|---|
| Molecular Weight | 927.36 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 927.3585 |
| Heavy Atoms | 66 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 150210-46-1 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)C2=CC=CS2)CC(=O)O)CC(=O)N3CCN(CC3)C4=CC=CC=C4)CC(=O)O)CC5=CNC6=CC=CC=C65 |
| InChIKey | HAHANBGRLRTDGL-HKJVWEGHSA-N |
Product Overview
GV4Uzc9M2H (CAS 150210-46-1), with molecular formula C45H53N9O11S and molecular weight 927.36 g/mol. IUPAC: 2-[(2R,5S,8S,11S,14S,17R)-8-(carboxymethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetic acid.
Chemical Property Profile of GV4Uzc9M2H
Property Insights of GV4Uzc9M2H
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GV4Uzc9M2H. The TPSA of 317.0 Ų indicates high polarity, suggesting GV4Uzc9M2H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GV4Uzc9M2H has 9 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 GV4Uzc9M2H?
The CAS number of GV4Uzc9M2H is 150210-46-1.
What is the molecular formula of GV4Uzc9M2H?
The molecular formula of GV4Uzc9M2H is C45H53N9O11S.
What is the molecular weight of GV4Uzc9M2H?
The molecular weight of GV4Uzc9M2H is 927.36 g/mol.
Where can I buy GV4Uzc9M2H?
You can request a quote for GV4Uzc9M2H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GV4Uzc9M2H?
Yes, KEHONG BIO provides custom synthesis services for GV4Uzc9M2H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.