2,5-Diiodo-4-nitrophenyl methanesulfonate
TL;DR: 2,5-Diiodo-4-nitrophenyl methanesulfonate (CAS 6304-60-5) is a chemical compound with molecular formula C7H5I2NO5S and molecular weight 468.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-diiodo-4-nitrophenyl) methanesulfonate
Also Known As: 2,5-diiodo-4-nitrophenyl methanesulfonate, (2,5-diiodo-4-nitrophenyl) methanesulfonate, 1,4-diiodo-2-methylsulfonyloxy-5-nitro-benzene
| Molecular Formula | C7H5I2NO5S |
|---|---|
| Molecular Weight | 468.80 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.7978 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 6304-60-5 |
|---|---|
| SMILES | CS(=O)(=O)OC1=C(C=C(C(=C1)I)[N+](=O)[O-])I |
| InChIKey | HPXTYPALWOGDII-UHFFFAOYSA-N |
Product Overview
2,5-Diiodo-4-nitrophenyl methanesulfonate (CAS 6304-60-5), with molecular formula C7H5I2NO5S and molecular weight 468.80 g/mol. IUPAC: (2,5-diiodo-4-nitrophenyl) methanesulfonate.
Chemical Property Profile of 2,5-Diiodo-4-nitrophenyl methanesulfonate
Property Insights of 2,5-Diiodo-4-nitrophenyl methanesulfonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diiodo-4-nitrophenyl methanesulfonate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diiodo-4-nitrophenyl methanesulfonate. Following Lipinski's Rule of Five, 2,5-Diiodo-4-nitrophenyl methanesulfonate 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 2,5-Diiodo-4-nitrophenyl methanesulfonate?
The CAS number of 2,5-Diiodo-4-nitrophenyl methanesulfonate is 6304-60-5.
What is the molecular formula of 2,5-Diiodo-4-nitrophenyl methanesulfonate?
The molecular formula of 2,5-Diiodo-4-nitrophenyl methanesulfonate is C7H5I2NO5S.
What is the molecular weight of 2,5-Diiodo-4-nitrophenyl methanesulfonate?
The molecular weight of 2,5-Diiodo-4-nitrophenyl methanesulfonate is 468.80 g/mol.
Where can I buy 2,5-Diiodo-4-nitrophenyl methanesulfonate?
You can request a quote for 2,5-Diiodo-4-nitrophenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diiodo-4-nitrophenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diiodo-4-nitrophenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.