Oxytril C
TL;DR: Oxytril C (CAS 66849-97-6) is a chemical compound with molecular formula C24H17Br2ClI2N2O5 and molecular weight 859.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)propanoic acid;3,5-dibromo-4-hydroxybenzonitrile;4-hydroxy-3,5-diiodobenzonitrile
Also Known As: Swipe, Oxytril C, Oxytril M, Bromoxynil-ioxynil-mecoprop mixture, Bromoxynil - ioxynil - mecoprop mixture
| Molecular Formula | C24H17Br2ClI2N2O5 |
|---|---|
| Molecular Weight | 859.73 g/mol |
| LogP | 7.76228 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 859.7282 |
| Heavy Atoms | 36 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 66849-97-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.C1=C(C=C(C(=C1Br)O)Br)C#N.C1=C(C=C(C(=C1I)O)I)C#N |
| InChIKey | KKOAUIYXYLSWLA-UHFFFAOYSA-N |
Product Overview
Oxytril C (CAS 66849-97-6), with molecular formula C24H17Br2ClI2N2O5 and molecular weight 859.73 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)propanoic acid;3,5-dibromo-4-hydroxybenzonitrile;4-hydroxy-3,5-diiodobenzonitrile.
Chemical Property Profile of Oxytril C
Property Insights of Oxytril C
The XLogP value of 7.76228 indicates that Oxytril C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxytril C. Following Lipinski's Rule of Five, Oxytril C has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxytril C?
The CAS number of Oxytril C is 66849-97-6.
What is the molecular formula of Oxytril C?
The molecular formula of Oxytril C is C24H17Br2ClI2N2O5.
What is the molecular weight of Oxytril C?
The molecular weight of Oxytril C is 859.73 g/mol.
Where can I buy Oxytril C?
You can request a quote for Oxytril C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxytril C?
Yes, KEHONG BIO provides custom synthesis services for Oxytril C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.