Valinate
TL;DR: Valinate (CAS 100920-71-6) is a chemical compound with molecular formula C21H22Cl3N7O6S and molecular weight 605.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C21H22Cl3N7O6S |
|---|---|
| Molecular Weight | 605.04 g/mol |
| LogP | 4.37092 |
| Topological Polar Surface Area | 164.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 605.0418 |
| Heavy Atoms | 38 |
| Complexity | 1411.8021 |
Chemical Identifiers
| CAS Number | 100920-71-6 |
|---|---|
| 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 |
Product Overview
Valinate (CAS 100920-71-6), with molecular formula C21H22Cl3N7O6S and molecular weight 605.04 g/mol. IUPAC: 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea.
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 164.74 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
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 605.04 g/mol.
Where can I buy Valinate?
You can request a quote for Valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valinate?
Yes, KEHONG BIO provides custom synthesis services for Valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.