RefChem:1098454
TL;DR: RefChem:1098454 (CAS 61863-55-6) is a chemical compound with molecular formula C17H18N4O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(5-methyl-2-phenyl-4,7-dihydroisoindol-1-yl)methylideneamino]urea
Also Known As: Semicarbazide, 2-((4,7-dihydro-5(or 6)-methyl-2-phenyl-2H-isoindol-1-yl)methylene)-, 2-((4,7-Dihydro-5(or 6)-methyl-2-phenyl-2H-isoindol-1-yl)methylene)hydrazinecarboxamide, Hydrazinecarboxamide, 2-((4,7-dihydro-5(or 6)-methyl-2-phenyl-2H-isoindol-1-yl)methylene)-, {[(5-methyl-2-phenyl-4,7-dihydro-2H-isoindol-1-yl)methylidene]amino}urea, 1-[(4,7-Dihydro-5-methyl-2-phenyl-2H-isoindol-1-yl)methylene]semicarbazide
| Molecular Formula | C17H18N4O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 2.5244 |
| Topological Polar Surface Area | 72.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.14807 |
| Heavy Atoms | 22 |
| Complexity | 756.4662 |
Chemical Identifiers
| CAS Number | 61863-55-6 |
|---|---|
| SMILES | CC1=CCC2=C(N(C=C2C1)C3=CC=CC=C3)/C=N/NC(=O)N |
Product Overview
RefChem:1098454 (CAS 61863-55-6), with molecular formula C17H18N4O and molecular weight 294.15 g/mol. IUPAC: [(E)-(5-methyl-2-phenyl-4,7-dihydroisoindol-1-yl)methylideneamino]urea.
Chemical Property Profile of RefChem:1098454
Property Insights of RefChem:1098454
The XLogP value of 2.5244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098454. The TPSA of 72.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098454. Following Lipinski's Rule of Five, RefChem:1098454 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:1098454?
The CAS number of RefChem:1098454 is 61863-55-6.
What is the molecular formula of RefChem:1098454?
The molecular formula of RefChem:1098454 is C17H18N4O.
What is the molecular weight of RefChem:1098454?
The molecular weight of RefChem:1098454 is 294.15 g/mol.
Where can I buy RefChem:1098454?
You can request a quote for RefChem:1098454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098454?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.