(1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
TL;DR: (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione (CAS 1214624-48-2) is a chemical compound with molecular formula C21H26BrN3O2 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-bromo-5-ethyl-7-methyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
Also Known As: (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione, (5s,7s)-5'-bromo-5-ethyl-7-methyl-1'-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione, 5'-bromo-5-ethyl-7-methyl-1'-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
| Molecular Formula | C21H26BrN3O2 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 2.9751 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.12085 |
| Heavy Atoms | 27 |
| Complexity | 850.9827 |
Chemical Identifiers
| CAS Number | 1214624-48-2 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)Br)C3(C1=O)N4CC5(CN3CC(C4)(C5=O)CC)C |
Product Overview
(1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione (CAS 1214624-48-2), with molecular formula C21H26BrN3O2 and molecular weight 431.12 g/mol. IUPAC: 5'-bromo-5-ethyl-7-methyl-1'-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
Chemical Property Profile of (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
Property Insights of (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
The XLogP value of 2.9751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione. With a topological polar surface area (TPSA) of 43.86 Ų, (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione has 0 hydrogen bond donor(s) and 4 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 (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione?
The CAS number of (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is 1214624-48-2.
What is the molecular formula of (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione?
The molecular formula of (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is C21H26BrN3O2.
What is the molecular weight of (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione?
The molecular weight of (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione is 431.12 g/mol.
Where can I buy (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione?
You can request a quote for (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione?
Yes, KEHONG BIO provides custom synthesis services for (1S,5S,7R)-5'-bromo-5-ethyl-7-methyl-1'-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.