Isomeridine
TL;DR: Isomeridine (CAS 129722-91-4) is a chemical compound with molecular formula C18H13N3O2 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,16,19-triazapentacyclo[11.7.1.02,7.07,12.017,21]henicosa-1(20),8,11,13(21),14,16,18-heptaene-5,10-dione
Also Known As: Isomeridine, 8H-Benzo(b)pyrido(4,3,2-de)(1,7)phenanthroline-8,12(13H)-dione, 13,14-Dihydro-8H-benzo[b]dipyrido[1,2-a:4',3',2'-de][1,7]naphthyridine-8,12(11H)-dione
| Molecular Formula | C18H13N3O2 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.10077 |
| Heavy Atoms | 23 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 129722-91-4 |
|---|---|
| SMILES | C1CN2C3=CN=CC4=NC=CC(=C34)C5=CC(=O)C=CC52CC1=O |
| InChIKey | NTUJFMIXHDPUJH-UHFFFAOYSA-N |
Product Overview
Isomeridine (CAS 129722-91-4), with molecular formula C18H13N3O2 and molecular weight 303.10 g/mol. IUPAC: 2,16,19-triazapentacyclo[11.7.1.02,7.07,12.017,21]henicosa-1(20),8,11,13(21),14,16,18-heptaene-5,10-dione.
Chemical Property Profile of Isomeridine
Property Insights of Isomeridine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomeridine. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomeridine. Following Lipinski's Rule of Five, Isomeridine has 0 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 Isomeridine?
The CAS number of Isomeridine is 129722-91-4.
What is the molecular formula of Isomeridine?
The molecular formula of Isomeridine is C18H13N3O2.
What is the molecular weight of Isomeridine?
The molecular weight of Isomeridine is 303.10 g/mol.
Where can I buy Isomeridine?
You can request a quote for Isomeridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomeridine?
Yes, KEHONG BIO provides custom synthesis services for Isomeridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.