卡索匹坦
TL;DR: 卡索匹坦 (CAS 414910-30-8) is a chemical compound with molecular formula C30H35F7N4O2 and molecular weight 616.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡索匹坦
(2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
Also Known As: Casopitant, Zunrisa, Rezonic, casopitantum, Casopitant [INN]
| Molecular Formula | C30H35F7N4O2 |
|---|---|
| Molecular Weight | 616.26 g/mol |
| LogP | 6.65432 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 616.26483 |
| Heavy Atoms | 43 |
| Complexity | 1306.5151 |
Chemical Identifiers
| CAS Number | 414910-30-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C(=O)C |
Product Overview
卡索匹坦 (CAS 414910-30-8), with molecular formula C30H35F7N4O2 and molecular weight 616.26 g/mol. IUPAC: (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide.
Chemical Property Profile of 卡索匹坦
Property Insights of 卡索匹坦
The XLogP value of 6.65432 indicates that 卡索匹坦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, 卡索匹坦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 卡索匹坦 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 卡索匹坦?
The CAS number of 卡索匹坦 is 414910-30-8.
What is the molecular formula of 卡索匹坦?
The molecular formula of 卡索匹坦 is C30H35F7N4O2.
What is the molecular weight of 卡索匹坦?
The molecular weight of 卡索匹坦 is 616.26 g/mol.
Where can I buy 卡索匹坦?
You can request a quote for 卡索匹坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡索匹坦?
Yes, KEHONG BIO provides custom synthesis services for 卡索匹坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.