利卡司琼
TL;DR: 利卡司琼 (CAS 117086-68-7) is a chemical compound with molecular formula C19H27N3O and molecular weight 313.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
利卡司琼
3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide
Also Known As: Ricasetron, Ricasetron [INN:BAN], Ricasetron [BAN:INN], RICASETRON [INN], Brl 46470
| Molecular Formula | C19H27N3O |
|---|---|
| Molecular Weight | 313.22 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.21542 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 117086-68-7 |
|---|---|
| SMILES | CC1(CN(C2=CC=CC=C21)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)C |
| InChIKey | ILXWRFDRNAKTDD-GOOCMWNKSA-N |
Product Overview
利卡司琼 (CAS 117086-68-7), with molecular formula C19H27N3O and molecular weight 313.22 g/mol. IUPAC: 3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide.
Chemical Property Profile of 利卡司琼
Property Insights of 利卡司琼
The XLogP value of 3.2 indicates that 利卡司琼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, 利卡司琼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 利卡司琼 has 1 hydrogen bond donor(s) and 2 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 利卡司琼?
The CAS number of 利卡司琼 is 117086-68-7.
What is the molecular formula of 利卡司琼?
The molecular formula of 利卡司琼 is C19H27N3O.
What is the molecular weight of 利卡司琼?
The molecular weight of 利卡司琼 is 313.22 g/mol.
Where can I buy 利卡司琼?
You can request a quote for 利卡司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 利卡司琼?
Yes, KEHONG BIO provides custom synthesis services for 利卡司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.