5-(3-indolylmethylene)hydantoin
TL;DR: 5-(3-indolylmethylene)hydantoin (CAS 117490-34-3) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dihydroimidazol-2-one
Also Known As: 5-(3-indolylmethylene)hydantoin, 5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione, 5-(1H-indol-3-ylmethylidene)imidazolidine-2,4-dione, (5Z)-5-(1H-indol-3-ylmethylene)imidazolidine-2,4-dione, (z)-5-((1h-indol-3-yl)methylene)imidazolidine-2,4-dione
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 117490-34-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C(NC(=O)N3)O)C=N2 |
| InChIKey | RBTNARRBWGUBEI-UHFFFAOYSA-N |
Product Overview
5-(3-indolylmethylene)hydantoin (CAS 117490-34-3), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dihydroimidazol-2-one.
Chemical Property Profile of 5-(3-indolylmethylene)hydantoin
Property Insights of 5-(3-indolylmethylene)hydantoin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-indolylmethylene)hydantoin. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-indolylmethylene)hydantoin. Following Lipinski's Rule of Five, 5-(3-indolylmethylene)hydantoin has 3 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 5-(3-indolylmethylene)hydantoin?
The CAS number of 5-(3-indolylmethylene)hydantoin is 117490-34-3.
What is the molecular formula of 5-(3-indolylmethylene)hydantoin?
The molecular formula of 5-(3-indolylmethylene)hydantoin is C12H9N3O2.
What is the molecular weight of 5-(3-indolylmethylene)hydantoin?
The molecular weight of 5-(3-indolylmethylene)hydantoin is 227.07 g/mol.
Where can I buy 5-(3-indolylmethylene)hydantoin?
You can request a quote for 5-(3-indolylmethylene)hydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-indolylmethylene)hydantoin?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-indolylmethylene)hydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.