(1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one
TL;DR: (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one (CAS 313947-74-9) is a chemical compound with molecular formula C14H24N2O5 and molecular weight 300.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: BAS 00334609, (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one, 1,3-dimethyl-6-(1,2,3,4-tetrahydroxybutyl)-5,7-diazatricyclo[3.3.1.1<3,7>]deca n-2-one, (5s,7s)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 5,7-DIMETHYL-2-(1,2,3,4-TETRAHYDROXYBUTYL)-1,3-DIAZATRICYCLO[3.3.1.1~3,7~]DECAN-6-ONE
| Molecular Formula | C14H24N2O5 |
|---|---|
| Molecular Weight | 300.17 g/mol |
| LogP | -2.386 |
| Topological Polar Surface Area | 104.47 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.16852 |
| Heavy Atoms | 21 |
| Complexity | 416.64532 |
Chemical Identifiers
| CAS Number | 313947-74-9 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C(C(C(CO)O)O)O)C |
Product Overview
(1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one (CAS 313947-74-9), with molecular formula C14H24N2O5 and molecular weight 300.17 g/mol. IUPAC: 5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one
Property Insights of (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one
The XLogP value of -2.386 indicates that (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one. Following Lipinski's Rule of Five, (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one has 4 hydrogen bond donor(s) and 7 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 (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one?
The CAS number of (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one is 313947-74-9.
What is the molecular formula of (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one?
The molecular formula of (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one is C14H24N2O5.
What is the molecular weight of (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one?
The molecular weight of (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one is 300.17 g/mol.
Where can I buy (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one?
You can request a quote for (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-5,7-dimethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.