C29H36N4O.1/2H2O
TL;DR: C29H36N4O.1/2H2O (CAS 130908-34-8) is a chemical compound with molecular formula C29H36N4O and molecular weight 456.2889 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1'-benzylspiro[9H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-1-piperidin-1-ylethanol
Also Known As: C29H36N4O.1/2H2O, C29-H36-N4-O.1/2H2-O, Spiro(piperidine-4,1'-(1H)pyrido(3,4-b)indole), 2',3',4',9'-tetrahydro-1-(phenylmethyl)-2'-(1-piperidinylacetyl)-, hydrate (2:1), 1-(1'-benzylspiro[9H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-1-piperidin-1-ylethanol, 1-(1-Benzylspiro[piperidine-4,1'-pyrido[3,4-b]indol]-2'(9'H)-yl)-1-(piperidin-1-yl)ethan-1-ol
Technical Specifications
| Molecular Formula | C29H36N4O |
| Molecular Weight | 456.2889 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.2889 Da |
| Heavy Atoms | 34 |
| Complexity | 722.0 |
| SMILES | CC(N1CCCCC1)(N2C=CC3=C(C24CCN(CC4)CC5=CC=CC=C5)NC6=CC=CC=C36)O |
| InChIKey | WVBJGULOQLOEDF-UHFFFAOYSA-N |
Chemical Property Profile of C29H36N4O.1/2H2O
Property Insights of C29H36N4O.1/2H2O
The XLogP value of 4.8 indicates that C29H36N4O.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.7 Ų, C29H36N4O.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H36N4O.1/2H2O has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C29H36N4O.1/2H2O?
The CAS number of C29H36N4O.1/2H2O is 130908-34-8.
What is the molecular formula of C29H36N4O.1/2H2O?
The molecular formula of C29H36N4O.1/2H2O is C29H36N4O.
What is the molecular weight of C29H36N4O.1/2H2O?
The molecular weight of C29H36N4O.1/2H2O is 456.2889 g/mol.
Where can I buy C29H36N4O.1/2H2O?
You can request a quote for C29H36N4O.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H36N4O.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C29H36N4O.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.