(3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine
TL;DR: (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine (CAS 178964-40-4) is a chemical compound with molecular formula C6H13NO4 and molecular weight 163.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,5R,6R)-azepane-3,4,5,6-tetrol
Also Known As: 1,6-Imino-1,6-dideoxy-D-mannitol, 1,6-Dideoxy-1,6-epimino-D-mannitol, (3R,4R,5R,6R)-azepane-3,4,5,6-tetrol, (3S,4R,5R,6R)-azepane-3,4,5,6-tetrol, (3R,4R,5R,6R)-Hexahydro-1H-azepine-3,4,5,6-tetrol
| Molecular Formula | C6H13NO4 |
|---|---|
| Molecular Weight | 163.08 g/mol |
| LogP | -2.9668 |
| Topological Polar Surface Area | 92.95 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.08446 |
| Heavy Atoms | 11 |
| Complexity | 117.750694 |
Chemical Identifiers
| CAS Number | 178964-40-4 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H]([C@@H](CN1)O)O)O)O |
Product Overview
(3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine (CAS 178964-40-4), with molecular formula C6H13NO4 and molecular weight 163.08 g/mol. IUPAC: (3R,4R,5R,6R)-azepane-3,4,5,6-tetrol.
Chemical Property Profile of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine
Property Insights of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine
The XLogP value of -2.9668 indicates that (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine. Following Lipinski's Rule of Five, (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine?
The CAS number of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine is 178964-40-4.
What is the molecular formula of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine?
The molecular formula of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine is C6H13NO4.
What is the molecular weight of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine?
The molecular weight of (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine is 163.08 g/mol.
Where can I buy (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine?
You can request a quote for (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for (3R,4R,5R,6R)-hexahydro-3,4,5,6-tetrahydroxy-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.