5P-561S
TL;DR: 5P-561S (CAS 866038-94-0) is a chemical compound with molecular formula C22H20Cl2N4O2 and molecular weight 442.10 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-(3,4-dichlorophenyl)urea
Also Known As: 5P-561S, N-[3-cyano-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]-N'-(3,4-dichlorophenyl)urea, 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-(3,4-dichlorophenyl)urea, 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(3,4-dichlorophenyl)urea, 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-3-(3,4-dichlorophenyl)urea
| Molecular Formula | C22H20Cl2N4O2 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 5.98432 |
| Topological Polar Surface Area | 79.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.09634 |
| Heavy Atoms | 30 |
| Complexity | 1131.5198 |
Chemical Identifiers
| CAS Number | 866038-94-0 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)CC3=CC=C(C=C3)OC)C |
Product Overview
5P-561S (CAS 866038-94-0), with molecular formula C22H20Cl2N4O2 and molecular weight 442.10 g/mol. IUPAC: 1-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrol-2-yl]-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 5P-561S
Property Insights of 5P-561S
The XLogP value of 5.98432 indicates that 5P-561S 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 5P-561S. Following Lipinski's Rule of Five, 5P-561S 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 5P-561S?
The CAS number of 5P-561S is 866038-94-0.
What is the molecular formula of 5P-561S?
The molecular formula of 5P-561S is C22H20Cl2N4O2.
What is the molecular weight of 5P-561S?
The molecular weight of 5P-561S is 442.10 g/mol.
Where can I buy 5P-561S?
You can request a quote for 5P-561S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5P-561S?
Yes, KEHONG BIO provides custom synthesis services for 5P-561S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.