Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-
TL;DR: Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- (CAS 82602-18-4) is a chemical compound with molecular formula C31H26Cl3FN4O2 and molecular weight 610.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol;1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
Also Known As: Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-, 5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-fluorophenyl)-,mixt. with 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-1H-imidazole, (2-Chlorophenyl)(4-fluorophenyl)(pyrimidin-5-yl)methanol--1-{2-(2,4-dichlorophenyl)-2-[(prop-2-en-1-yl)oxy]ethyl}-1H-imidazole (1/1), (2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol; 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
| Molecular Formula | C31H26Cl3FN4O2 |
|---|---|
| Molecular Weight | 610.11 g/mol |
| LogP | 7.6871 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 610.11053 |
| Heavy Atoms | 41 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 82602-18-4 |
|---|---|
| SMILES | C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl |
| InChIKey | HFWKYDDONCDPJA-UHFFFAOYSA-N |
Product Overview
Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- (CAS 82602-18-4), with molecular formula C31H26Cl3FN4O2 and molecular weight 610.11 g/mol. IUPAC: (2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol;1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole.
Chemical Property Profile of Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-
Property Insights of Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-
The XLogP value of 7.6871 indicates that Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-. Following Lipinski's Rule of Five, Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- has 1 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 Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-?
The CAS number of Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- is 82602-18-4.
What is the molecular formula of Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-?
The molecular formula of Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- is C31H26Cl3FN4O2.
What is the molecular weight of Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-?
The molecular weight of Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- is 610.11 g/mol.
Where can I buy Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-?
You can request a quote for Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.