SQ992
TL;DR: SQ992 (CAS 327984-50-9) is a chemical compound with molecular formula C23H24F2N4O11 and molecular weight 570.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,4-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
Also Known As: SQ992, J2.016.577D, alpha-L-Talofuranuronamide, 1-deoxy-5-O-(4-deoxy-N-(3,4-difluorophenyl)-beta-L-erythro-hex-4-enopyranuronamidosyl)-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-O-methyl-, (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-N-(3,4-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide, (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,4-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
| Molecular Formula | C23H24F2N4O11 |
|---|---|
| Molecular Weight | 570.14 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 570.141 |
| Heavy Atoms | 40 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 327984-50-9 |
|---|---|
| SMILES | CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NC3=CC(=C(C=C3)F)F)O)O)N4C=CC(=O)NC4=O)O |
| InChIKey | RATIQJMMMZGLME-KQSVRIFWSA-N |
Product Overview
SQ992 (CAS 327984-50-9), with molecular formula C23H24F2N4O11 and molecular weight 570.14 g/mol. IUPAC: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,4-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide.
Chemical Property Profile of SQ992
Property Insights of SQ992
The XLogP value of -2.5 indicates that SQ992 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting SQ992 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ992 has 6 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 SQ992?
The CAS number of SQ992 is 327984-50-9.
What is the molecular formula of SQ992?
The molecular formula of SQ992 is C23H24F2N4O11.
What is the molecular weight of SQ992?
The molecular weight of SQ992 is 570.14 g/mol.
Where can I buy SQ992?
You can request a quote for SQ992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ992?
Yes, KEHONG BIO provides custom synthesis services for SQ992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.