Iforrestine
TL;DR: Iforrestine (CAS 125287-08-3) is a chemical compound with molecular formula C14H12N4O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-amino-15-oxa-3,10,17-triazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),4,12,14(18),16-pentaene-2,9-dione
Also Known As: Iforrestine, ( )-Iforrestine, (+)-Iforrestine, 2-amino-8,9-dihydro[1,3]oxazolo[4,5-g]pyrido[2,1-c][1,4]benzodiazepine-7,13(6H,7aH)-dione, 7-Hydroxy-2-imino-1,2,8,9-tetrahydro[1,3]oxazolo[4,5-g]pyrido[2,1-c][1,4]benzodiazepin-13(7aH)-one
| Molecular Formula | C14H12N4O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.09094 |
| Heavy Atoms | 21 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 125287-08-3 |
|---|---|
| SMILES | C1CC2C(=O)NC3=C(C4=C(C=C3)OC(=N4)N)C(=O)N2C=C1 |
| InChIKey | MCNNCDFRSLCHRM-UHFFFAOYSA-N |
Product Overview
Iforrestine (CAS 125287-08-3), with molecular formula C14H12N4O3 and molecular weight 284.09 g/mol. IUPAC: 16-amino-15-oxa-3,10,17-triazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),4,12,14(18),16-pentaene-2,9-dione.
Chemical Property Profile of Iforrestine
Property Insights of Iforrestine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iforrestine. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Iforrestine. Following Lipinski's Rule of Five, Iforrestine has 2 hydrogen bond donor(s) and 5 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 Iforrestine?
The CAS number of Iforrestine is 125287-08-3.
What is the molecular formula of Iforrestine?
The molecular formula of Iforrestine is C14H12N4O3.
What is the molecular weight of Iforrestine?
The molecular weight of Iforrestine is 284.09 g/mol.
Where can I buy Iforrestine?
You can request a quote for Iforrestine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iforrestine?
Yes, KEHONG BIO provides custom synthesis services for Iforrestine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.