ChemDiv3_003134
TL;DR: ChemDiv3_003134 (CAS 1164515-82-5) is a chemical compound with molecular formula C22H20N4O and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)-N,N-dimethylmethanimidamide
Also Known As: ChemDiv3_003134, BRD-K41539822-001-01-7, (E)-N'-(2-benzoyl-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl)-N,N-dimethylformimidamide, N'-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)-N,N-dimethylmethanimidamide, (E)-N'-(2-BENZOYL-4-CYANO-5-METHYL-1-PHENYL-1H-PYRROL-3-YL)-N,N-DIMETHYLMETHANIMIDAMIDE
| Molecular Formula | C22H20N4O |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 4.1098 |
| Topological Polar Surface Area | 61.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1637 |
| Heavy Atoms | 27 |
| Complexity | 1025.6699 |
Chemical Identifiers
| CAS Number | 1164515-82-5 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N=CN(C)C)C#N |
Product Overview
ChemDiv3_003134 (CAS 1164515-82-5), with molecular formula C22H20N4O and molecular weight 356.16 g/mol. IUPAC: N'-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)-N,N-dimethylmethanimidamide.
Chemical Property Profile of ChemDiv3_003134
Property Insights of ChemDiv3_003134
The XLogP value of 4.1098 indicates that ChemDiv3_003134 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003134. Following Lipinski's Rule of Five, ChemDiv3_003134 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003134?
The CAS number of ChemDiv3_003134 is 1164515-82-5.
What is the molecular formula of ChemDiv3_003134?
The molecular formula of ChemDiv3_003134 is C22H20N4O.
What is the molecular weight of ChemDiv3_003134?
The molecular weight of ChemDiv3_003134 is 356.16 g/mol.
Where can I buy ChemDiv3_003134?
You can request a quote for ChemDiv3_003134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003134?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.