碘西尼
TL;DR: 碘西尼 (CAS 127396-36-5) is a chemical compound with molecular formula C15H14IN3O3 and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘西尼
ethyl 7-(123I)iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Also Known As: Iomazenil, Iomazenil (123I), Iomazenil I-123, Benzodine, Iomazenil i 123
| Molecular Formula | C15H14IN3O3 |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.00912 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 127396-36-5 |
|---|---|
| SMILES | CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3[123I])C |
| InChIKey | FRIZVHMAECRUBR-KIWWSDKQSA-N |
Product Overview
碘西尼 (CAS 127396-36-5), with molecular formula C15H14IN3O3 and molecular weight 407.01 g/mol. IUPAC: ethyl 7-(123I)iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.
Chemical Property Profile of 碘西尼
Property Insights of 碘西尼
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘西尼. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 碘西尼. Following Lipinski's Rule of Five, 碘西尼 has 0 hydrogen bond donor(s) and 4 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 碘西尼?
The CAS number of 碘西尼 is 127396-36-5.
What is the molecular formula of 碘西尼?
The molecular formula of 碘西尼 is C15H14IN3O3.
What is the molecular weight of 碘西尼?
The molecular weight of 碘西尼 is 407.01 g/mol.
Where can I buy 碘西尼?
You can request a quote for 碘西尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘西尼?
Yes, KEHONG BIO provides custom synthesis services for 碘西尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.