ONO-4007游离酸
TL;DR: ONO-4007游离酸 (CAS 111250-67-0) is a chemical compound with molecular formula C50H79NO12S and molecular weight 917.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ONO-4007游离酸
[(3S)-1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-(9-phenylnonanoyloxy)-4-sulfooxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] 9-phenylnonanoate
Also Known As: ONO-4007 acid, ONO-4007 Free acid, Ono-4007 (free acid), 250O670, [(3S)-1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-(9-phenylnonanoyloxy)-4-sulfooxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] 9-phenylnonanoate
| Molecular Formula | C50H79NO12S |
|---|---|
| Molecular Weight | 917.53 g/mol |
| LogP | 12.1 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 42 |
| Exact Mass | 917.5323 |
| Heavy Atoms | 64 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 111250-67-0 |
|---|---|
| SMILES | CCCCCCCCCCC[C@@H](CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)OS(=O)(=O)O)OC(=O)CCCCCCCCC1=CC=CC=C1)OC(=O)CCCCCCCCC2=CC=CC=C2 |
| InChIKey | YZZHKYCRRBWWGO-UFSAIEKQSA-N |
Product Overview
ONO-4007游离酸 (CAS 111250-67-0), with molecular formula C50H79NO12S and molecular weight 917.53 g/mol. IUPAC: [(3S)-1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-(9-phenylnonanoyloxy)-4-sulfooxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] 9-phenylnonanoate.
Chemical Property Profile of ONO-4007游离酸
Property Insights of ONO-4007游离酸
The XLogP value of 12.1 indicates that ONO-4007游离酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting ONO-4007游离酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ONO-4007游离酸 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ONO-4007游离酸?
The CAS number of ONO-4007游离酸 is 111250-67-0.
What is the molecular formula of ONO-4007游离酸?
The molecular formula of ONO-4007游离酸 is C50H79NO12S.
What is the molecular weight of ONO-4007游离酸?
The molecular weight of ONO-4007游离酸 is 917.53 g/mol.
Where can I buy ONO-4007游离酸?
You can request a quote for ONO-4007游离酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ONO-4007游离酸?
Yes, KEHONG BIO provides custom synthesis services for ONO-4007游离酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.