Compound 3c
TL;DR: Compound 3c (CAS 280783-56-4) is a chemical compound with molecular formula C26H31N3O and molecular weight 401.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: Compound 3c, Ro 64-6198, Ro64-6198, Ro-64-6198, 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
| Molecular Formula | C26H31N3O |
|---|---|
| Molecular Weight | 401.25 g/mol |
| LogP | 4.3699 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.2467 |
| Heavy Atoms | 30 |
| Complexity | 948.006 |
Chemical Identifiers
| CAS Number | 280783-56-4 |
|---|---|
| SMILES | C1C[C@H]2CC[C@@H](C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6 |
Product Overview
Compound 3c (CAS 280783-56-4), with molecular formula C26H31N3O and molecular weight 401.25 g/mol. IUPAC: 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of Compound 3c
Property Insights of Compound 3c
The XLogP value of 4.3699 indicates that Compound 3c is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, Compound 3c exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Compound 3c 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 Compound 3c?
The CAS number of Compound 3c is 280783-56-4.
What is the molecular formula of Compound 3c?
The molecular formula of Compound 3c is C26H31N3O.
What is the molecular weight of Compound 3c?
The molecular weight of Compound 3c is 401.25 g/mol.
Where can I buy Compound 3c?
You can request a quote for Compound 3c directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 3c?
Yes, KEHONG BIO provides custom synthesis services for Compound 3c and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.