(1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate
TL;DR: (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate (CAS 157702-31-3) is a chemical compound with molecular formula C30H24N4O10 and molecular weight 600.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3S,4S,5R,6R)-2,3-dihydroxy-4,5,6-tris(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate
Also Known As: (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate, [3,4-dihydroxy-2,5,6-tris(pyridine-3-carbonyloxy)cyclohexyl] Pyridine-3-carboxylate
| Molecular Formula | C30H24N4O10 |
|---|---|
| Molecular Weight | 600.15 g/mol |
| LogP | 1.2042 |
| Topological Polar Surface Area | 197.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.14923 |
| Heavy Atoms | 44 |
| Complexity | 1474.6937 |
Chemical Identifiers
| CAS Number | 157702-31-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)O)O |
Product Overview
(1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate (CAS 157702-31-3), with molecular formula C30H24N4O10 and molecular weight 600.15 g/mol. IUPAC: [(1S,2R,3S,4S,5R,6R)-2,3-dihydroxy-4,5,6-tris(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate.
Chemical Property Profile of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate
Property Insights of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate
The XLogP value of 1.2042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate. The TPSA of 197.22 Ų indicates high polarity, suggesting (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate?
The CAS number of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate is 157702-31-3.
What is the molecular formula of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate?
The molecular formula of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate is C30H24N4O10.
What is the molecular weight of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate?
The molecular weight of (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate is 600.15 g/mol.
Where can I buy (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate?
You can request a quote for (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetranicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.