阿那曲波
TL;DR: 阿那曲波 (CAS 875446-37-0) is a chemical compound with molecular formula C18H23N5O8P- and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿那曲波
[6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Also Known As: Anacetrapib (MK-0859), [6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate, 2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-, (4S,5R)-, 6-[6-(butanoylamino)-9h-purin-9-yl]-7-(butanoyloxy)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide
| Molecular Formula | C18H23N5O8P- |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.12842 |
| Heavy Atoms | 32 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 875446-37-0 |
|---|---|
| SMILES | CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)[O-])OC(=O)CCC |
| InChIKey | CJGYSWNGNKCJSB-UHFFFAOYSA-M |
Product Overview
阿那曲波 (CAS 875446-37-0), with molecular formula C18H23N5O8P- and molecular weight 468.13 g/mol. IUPAC: [6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate.
Chemical Property Profile of 阿那曲波
Property Insights of 阿那曲波
The XLogP value of -0.6 indicates that 阿那曲波 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting 阿那曲波 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anacetrapib (MK-0859) has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anacetrapib (MK-0859)?
The CAS number of Anacetrapib (MK-0859) is 875446-37-0.
What is the molecular formula of Anacetrapib (MK-0859)?
The molecular formula of Anacetrapib (MK-0859) is C18H23N5O8P-.
What is the molecular weight of Anacetrapib (MK-0859)?
The molecular weight of Anacetrapib (MK-0859) is 468.13 g/mol.
Where can I buy Anacetrapib (MK-0859)?
You can request a quote for Anacetrapib (MK-0859) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anacetrapib (MK-0859)?
Yes, KEHONG BIO provides custom synthesis services for Anacetrapib (MK-0859) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.