(2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮
TL;DR: (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 (CAS 753498-25-8) is a chemical compound with molecular formula C21H21NO and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮
(2-benzylphenyl)-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanone
Also Known As: Indacaterol maleate, (2-benzylphenyl)(2,4,5-trimethyl-1h-pyrrol-3-yl)methanone, (2-benzylphenyl)-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanone, 2(1H)-Quinolinone, 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-, (2Z)-2-butenedioate (1:1)
| Molecular Formula | C21H21NO |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.16232 |
| Heavy Atoms | 23 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 753498-25-8 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C)C |
| InChIKey | LDILMWMGBVILRE-UHFFFAOYSA-N |
Product Overview
(2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 (CAS 753498-25-8), with molecular formula C21H21NO and molecular weight 303.16 g/mol. IUPAC: (2-benzylphenyl)-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanone.
Chemical Property Profile of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮
Property Insights of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮
The XLogP value of 5.1 indicates that (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.9 Ų, (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮?
The CAS number of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 is 753498-25-8.
What is the molecular formula of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮?
The molecular formula of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 is C21H21NO.
What is the molecular weight of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮?
The molecular weight of (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 is 303.16 g/mol.
Where can I buy (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮?
You can request a quote for (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮?
Yes, KEHONG BIO provides custom synthesis services for (2-苄基苯基)(2,4,5-三甲基-1H-吡咯-3-基)甲酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.