RefChem:1098453
TL;DR: RefChem:1098453 (CAS 61863-54-5) is a chemical compound with molecular formula C17H20N4O and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(5-methyl-2-phenyl-4,5,6,7-tetrahydroisoindol-1-yl)methylideneamino]urea
Also Known As: 2-((5(or 6)-Methyl-2-phenyl-4,5,6,7-tetrahydro-2H-isoindol-1-yl)methylene)semicarbazide, Semicarbazide, 2-((4,5,6,7-tetrahydro-5(or 6)-methyl-2-phenyl-2H-isoindol-1-yl)methylene)-, {[(5-methyl-2-phenyl-4,5,6,7-tetrahydro-2H-isoindol-1-yl)methylidene]amino}urea, 1-[(4,5,6,7-Tetrahydro-5-methyl-2-phenyl-2H-isoindol-1-yl)methylene]semicarbazide, RefChem:1098453
| Molecular Formula | C17H20N4O |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 2.6043 |
| Topological Polar Surface Area | 72.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1637 |
| Heavy Atoms | 22 |
| Complexity | 702.94904 |
Chemical Identifiers
| CAS Number | 61863-54-5 |
|---|---|
| SMILES | CC1CCC2=C(N(C=C2C1)C3=CC=CC=C3)/C=N/NC(=O)N |
Product Overview
RefChem:1098453 (CAS 61863-54-5), with molecular formula C17H20N4O and molecular weight 296.16 g/mol. IUPAC: [(E)-(5-methyl-2-phenyl-4,5,6,7-tetrahydroisoindol-1-yl)methylideneamino]urea.
Chemical Property Profile of RefChem:1098453
Property Insights of RefChem:1098453
The XLogP value of 2.6043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098453. The TPSA of 72.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098453. Following Lipinski's Rule of Five, RefChem:1098453 has 2 hydrogen bond donor(s) and 2 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 RefChem:1098453?
The CAS number of RefChem:1098453 is 61863-54-5.
What is the molecular formula of RefChem:1098453?
The molecular formula of RefChem:1098453 is C17H20N4O.
What is the molecular weight of RefChem:1098453?
The molecular weight of RefChem:1098453 is 296.16 g/mol.
Where can I buy RefChem:1098453?
You can request a quote for RefChem:1098453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098453?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.