2H-949
TL;DR: 2H-949 (CAS 338399-51-2) is a chemical compound with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl-methylamino] N-phenylcarbamate
Also Known As: 2H-949, 2-{[[(anilinocarbonyl)oxy](methyl)amino]methylene}-5-(4-chlorophenyl)-1,3-cyclohexanedione, [[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl-methylamino] N-phenylcarbamate, {[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl}(methyl)amino N-phenylcarbamate
| Molecular Formula | C21H19ClN2O4 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.335 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.10333 |
| Heavy Atoms | 28 |
| Complexity | 889.76263 |
Chemical Identifiers
| CAS Number | 338399-51-2 |
|---|---|
| SMILES | CN(C=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)Cl)OC(=O)NC3=CC=CC=C3 |
Product Overview
2H-949 (CAS 338399-51-2), with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol. IUPAC: [[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl-methylamino] N-phenylcarbamate.
Chemical Property Profile of 2H-949
Property Insights of 2H-949
The XLogP value of 4.335 indicates that 2H-949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-949. Following Lipinski's Rule of Five, 2H-949 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-949?
The CAS number of 2H-949 is 338399-51-2.
What is the molecular formula of 2H-949?
The molecular formula of 2H-949 is C21H19ClN2O4.
What is the molecular weight of 2H-949?
The molecular weight of 2H-949 is 398.10 g/mol.
Where can I buy 2H-949?
You can request a quote for 2H-949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-949?
Yes, KEHONG BIO provides custom synthesis services for 2H-949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.