(1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
TL;DR: (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol (CAS 397880-07-8) is a chemical compound with molecular formula C25H29N3O and molecular weight 387.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Also Known As: BAS 02788351, (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol, 1,3-dimethyl-6-[1-benzylindol-3-yl]-5,7-diazatricyclo[3.3.1.1<3,7>]decan-2-ol, (5s,7s)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol, 2-(1-BENZYL-1H-INDOL-3-YL)-5,7-DIMETHYL-1,3-DIAZATRICYCLO[3.3.1.1~3,7~]DECAN-6-OL
| Molecular Formula | C25H29N3O |
|---|---|
| Molecular Weight | 387.23 g/mol |
| LogP | 3.7065 |
| Topological Polar Surface Area | 31.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.23105 |
| Heavy Atoms | 29 |
| Complexity | 1034.1218 |
Chemical Identifiers
| CAS Number | 397880-07-8 |
|---|---|
| SMILES | CC12CN3CC(C1O)(CN(C2)C3C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6)C |
Product Overview
(1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol (CAS 397880-07-8), with molecular formula C25H29N3O and molecular weight 387.23 g/mol. IUPAC: 2-(1-benzylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
Chemical Property Profile of (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
Property Insights of (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
The XLogP value of 3.7065 indicates that (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.64 Ų, (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol has 1 hydrogen bond donor(s) and 3 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)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
The CAS number of (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol is 397880-07-8.
What is the molecular formula of (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
The molecular formula of (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol is C25H29N3O.
What is the molecular weight of (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
The molecular weight of (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol is 387.23 g/mol.
Where can I buy (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
You can request a quote for (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol 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)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.