Valinate
TL;DR: Valinate (CAS 100920-71-6) is a chemical compound with molecular formula C21H22Cl3N7O6S and molecular weight 605.0418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
Also Known As: Valinate, Benzenesulfonamide, 2-chloro-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-, mixt. with N'-(3,4-dichlorophenyl)-N-methoxy-N-methylurea, 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea; 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-urea, 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea; 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea, 2-Chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide--N'-(3,4-dichlorophenyl)-N-methoxy-N-methylurea (1/1)
Technical Specifications
| Molecular Formula | C21H22Cl3N7O6S |
| Molecular Weight | 605.0418 g/mol |
| XLogP | 4.37092 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 605.0418 Da |
| Heavy Atoms | 38 |
| Complexity | 742.0 |
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl.CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC |
| InChIKey | LWAYRTSDOPWBLI-UHFFFAOYSA-N |
Product Description
Applications: Valinate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Valinate is a fine chemical identified by CAS number 100920-71-6 and the molecular formula C21H22Cl3N7O6S and a molecular weight of 605.04 g/mol. Synonyms include Valinate and ACMC-20m3yu.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Valinate
Property Insights of Valinate
The XLogP value of 4.37092 indicates that Valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting Valinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valinate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Valinate?
The CAS number of Valinate is 100920-71-6.
What is the molecular formula of Valinate?
The molecular formula of Valinate is C21H22Cl3N7O6S.
What is the molecular weight of Valinate?
The molecular weight of Valinate is 605.0418 g/mol.
What are the applications of Valinate?
Valinate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Valinate?
You can request a quote for Valinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valinate?
Yes, CoreyChem provides custom synthesis services for Valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.