![1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea structure](/static/products/5899/5899-60-5.webp)
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
TL;DR: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea (CAS 5899-60-5) is a chemical compound with molecular formula C33H40N4O2 and molecular weight 524.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Also Known As: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea, N-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-N'-[2,6-di(propan-2-yl)phenyl]urea
| Molecular Formula | C33H40N4O2 |
|---|---|
| Molecular Weight | 524.32 g/mol |
| LogP | 7.3761 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.3151 |
| Heavy Atoms | 39 |
| Complexity | 1331.31 |
Chemical Identifiers
| CAS Number | 5899-60-5 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5 |
Product Overview
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea (CAS 5899-60-5), with molecular formula C33H40N4O2 and molecular weight 524.32 g/mol. IUPAC: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea.
Chemical Property Profile of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Property Insights of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
The XLogP value of 7.3761 indicates that 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea. Following Lipinski's Rule of Five, 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea has 2 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 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The CAS number of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea is 5899-60-5.
What is the molecular formula of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The molecular formula of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea is C33H40N4O2.
What is the molecular weight of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The molecular weight of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea is 524.32 g/mol.
Where can I buy 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
You can request a quote for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.