(4-氰基-2-碘-6-硝基苯基)甲基碳酸酯
TL;DR: (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 (CAS 111318-39-9) is a chemical compound with molecular formula C9H5IN2O5 and molecular weight 347.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-氰基-2-碘-6-硝基苯基)甲基碳酸酯
(4-cyano-2-iodo-6-nitrophenyl) methyl carbonate
Also Known As: (4-cyano-2-iodo-6-nitrophenyl) methyl carbonate, 4-CYANO-2-IODO-6-NITROPHENYL METHYL CARBONATE, (4-cyano-2-iodo-6-nitro-phenyl) Methyl Carbonate, Carbonic acid methyl(2-nitro-4-cyano-6-iodophenyl) ester
| Molecular Formula | C9H5IN2O5 |
|---|---|
| Molecular Weight | 347.92 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.92432 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 111318-39-9 |
|---|---|
| SMILES | COC(=O)OC1=C(C=C(C=C1I)C#N)[N+](=O)[O-] |
| InChIKey | HXCVBUFVEPMDLN-UHFFFAOYSA-N |
Product Overview
(4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 (CAS 111318-39-9), with molecular formula C9H5IN2O5 and molecular weight 347.92 g/mol. IUPAC: (4-cyano-2-iodo-6-nitrophenyl) methyl carbonate.
Chemical Property Profile of (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯
Property Insights of (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯. Following Lipinski's Rule of Five, (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 has 0 hydrogen bond donor(s) and 6 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 (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯?
The CAS number of (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 is 111318-39-9.
What is the molecular formula of (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯?
The molecular formula of (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 is C9H5IN2O5.
What is the molecular weight of (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯?
The molecular weight of (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 is 347.92 g/mol.
Where can I buy (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯?
You can request a quote for (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for (4-氰基-2-碘-6-硝基苯基)甲基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.