马罗匹坦
TL;DR: 马罗匹坦 (CAS 147116-67-4) is a chemical compound with molecular formula C32H40N2O and molecular weight 468.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马罗匹坦
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Also Known As: maropitant, maropitantum, Maropitant [INN], Cerenia Tablets, Maropitant Citrate Salt
| Molecular Formula | C32H40N2O |
|---|---|
| Molecular Weight | 468.31 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.31406 |
| Heavy Atoms | 35 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 147116-67-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | OMPCVMLFFSQFIX-CONSDPRKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
马罗匹坦 (CAS 147116-67-4), with molecular formula C32H40N2O and molecular weight 468.31 g/mol. IUPAC: (2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
Chemical Property Profile of 马罗匹坦
Property Insights of 马罗匹坦
The XLogP value of 7.0 indicates that 马罗匹坦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, 马罗匹坦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 马罗匹坦 has 1 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 马罗匹坦?
The CAS number of 马罗匹坦 is 147116-67-4.
What is the molecular formula of 马罗匹坦?
The molecular formula of 马罗匹坦 is C32H40N2O.
What is the molecular weight of 马罗匹坦?
The molecular weight of 马罗匹坦 is 468.31 g/mol.
Where can I buy 马罗匹坦?
You can request a quote for 马罗匹坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马罗匹坦?
Yes, KEHONG BIO provides custom synthesis services for 马罗匹坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.