4P-596S
TL;DR: 4P-596S (CAS 866017-62-1) is a chemical compound with molecular formula C23H21F3N4O2 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 4P-596S, N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea, 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-[3-(trifluoromethyl)phenyl]urea, 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea, 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C23H21F3N4O2 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 5.69632 |
| Topological Polar Surface Area | 79.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.16165 |
| Heavy Atoms | 32 |
| Complexity | 1175.6777 |
Chemical Identifiers
| CAS Number | 866017-62-1 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC3=CC=C(C=C3)OC)C |
Product Overview
4P-596S (CAS 866017-62-1), with molecular formula C23H21F3N4O2 and molecular weight 442.16 g/mol. IUPAC: 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 4P-596S
Property Insights of 4P-596S
The XLogP value of 5.69632 indicates that 4P-596S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4P-596S. Following Lipinski's Rule of Five, 4P-596S 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 4P-596S?
The CAS number of 4P-596S is 866017-62-1.
What is the molecular formula of 4P-596S?
The molecular formula of 4P-596S is C23H21F3N4O2.
What is the molecular weight of 4P-596S?
The molecular weight of 4P-596S is 442.16 g/mol.
Where can I buy 4P-596S?
You can request a quote for 4P-596S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4P-596S?
Yes, KEHONG BIO provides custom synthesis services for 4P-596S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.