2-IODO-3-METHYLBENZONITRILE
TL;DR: 2-IODO-3-METHYLBENZONITRILE (CAS 180274-08-2) is a chemical compound with molecular formula C23H42N2O6S3 and molecular weight 538.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-[2-(2-methylpropylsulfinyl)ethoxy]-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
Also Known As: 2-IODO-3-METHYLBENZONITRILE, 1,3-Bis(isobutylsulfinylethyl)-5-isobutylsulfinylethoxy-6-methyluracil, 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(2-((2-methylpropyl)sulfinyl)ethyl)-6-methyl-5-(2-((2-methylpropyl)sulfinyl)ethoxy)-, 6-methyl-5-[2-(2-methylpropylsulfinyl)ethoxy]-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione,6-methyl-5-[2-[(2-methylpropyl)sulfinyl]ethoxy]-1,3-bis[2-[(2-methylpropyl)sulfinyl]ethyl]-
| Molecular Formula | C23H42N2O6S3 |
|---|---|
| Molecular Weight | 538.22 g/mol |
| LogP | 1.91132 |
| Topological Polar Surface Area | 104.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 538.2205 |
| Heavy Atoms | 34 |
| Complexity | 982.1432 |
Chemical Identifiers
| CAS Number | 180274-08-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1CCS(=O)CC(C)C)CCS(=O)CC(C)C)OCCS(=O)CC(C)C |
Product Overview
2-IODO-3-METHYLBENZONITRILE (CAS 180274-08-2), with molecular formula C23H42N2O6S3 and molecular weight 538.22 g/mol. IUPAC: 6-methyl-5-[2-(2-methylpropylsulfinyl)ethoxy]-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione.
Chemical Property Profile of 2-IODO-3-METHYLBENZONITRILE
Property Insights of 2-IODO-3-METHYLBENZONITRILE
The XLogP value of 1.91132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-IODO-3-METHYLBENZONITRILE. The TPSA of 104.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-IODO-3-METHYLBENZONITRILE. Following Lipinski's Rule of Five, 2-IODO-3-METHYLBENZONITRILE has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-IODO-3-METHYLBENZONITRILE?
The CAS number of 2-IODO-3-METHYLBENZONITRILE is 180274-08-2.
What is the molecular formula of 2-IODO-3-METHYLBENZONITRILE?
The molecular formula of 2-IODO-3-METHYLBENZONITRILE is C23H42N2O6S3.
What is the molecular weight of 2-IODO-3-METHYLBENZONITRILE?
The molecular weight of 2-IODO-3-METHYLBENZONITRILE is 538.22 g/mol.
Where can I buy 2-IODO-3-METHYLBENZONITRILE?
You can request a quote for 2-IODO-3-METHYLBENZONITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-IODO-3-METHYLBENZONITRILE?
Yes, KEHONG BIO provides custom synthesis services for 2-IODO-3-METHYLBENZONITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.