S-3105
TL;DR: S-3105 (CAS 842-15-9) is a chemical compound with molecular formula C24H29N4NaO15 and molecular weight 636.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-3105
sodium;(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;7-hydroxy-10-oxidophenoxazin-10-ium-3-one;azide
Also Known As: S 3105, S-3105, sodium;(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;7-hydroxy-10-oxidophenoxazin-10-ium-3-one;azide, alpha-D-Glucopyranoside, beta-D-fructofuranosyl, mixt. with 7-hydroxy-3H-phenoxazin-3-one 10-oxide and sodium azide (Na(N3)), sodium;(2r,3r,4s,5s,6r)-2-[(2r,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 7-hydroxy-10-oxido-phenoxazin-10-ium-3-one; azide
| Molecular Formula | C24H29N4NaO15 |
|---|---|
| Molecular Weight | 636.15 g/mol |
| LogP | -6.2887 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 636.1527 |
| Heavy Atoms | 44 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 842-15-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=[N+]2[O-].C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.[N-]=[N+]=[N-].[Na+] |
| InChIKey | NUFDWYWGTPSSNE-FGXHTFCISA-N |
Product Overview
S-3105 (CAS 842-15-9), with molecular formula C24H29N4NaO15 and molecular weight 636.15 g/mol. IUPAC: sodium;(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;7-hydroxy-10-oxidophenoxazin-10-ium-3-one;azide.
Chemical Property Profile of S-3105
Property Insights of S-3105
The XLogP value of -6.2887 indicates that S-3105 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.0 Ų indicates high polarity, suggesting S-3105 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-3105 has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-3105?
The CAS number of S-3105 is 842-15-9.
What is the molecular formula of S-3105?
The molecular formula of S-3105 is C24H29N4NaO15.
What is the molecular weight of S-3105?
The molecular weight of S-3105 is 636.15 g/mol.
Where can I buy S-3105?
You can request a quote for S-3105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-3105?
Yes, KEHONG BIO provides custom synthesis services for S-3105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.