2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide
TL;DR: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide (CAS 709643-44-7) is a chemical compound with molecular formula C18H19ClN2O2S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide
Also Known As: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide, 2-amino-3-(aminothioxomethyl)-4-(4-chlorophenyl)-7,7-dimethyl-4H-6,7,8-trihydr ochromen-5-one, 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbothioamide
| Molecular Formula | C18H19ClN2O2S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 3.5534 |
| Topological Polar Surface Area | 78.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.08557 |
| Heavy Atoms | 24 |
| Complexity | 793.7417 |
Chemical Identifiers
| CAS Number | 709643-44-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=S)N)C3=CC=C(C=C3)Cl)C(=O)C1)C |
Product Overview
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide (CAS 709643-44-7), with molecular formula C18H19ClN2O2S and molecular weight 362.09 g/mol. IUPAC: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide.
Chemical Property Profile of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide
Property Insights of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide
The XLogP value of 3.5534 indicates that 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide. Following Lipinski's Rule of Five, 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide has 2 hydrogen bond donor(s) and 4 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 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide?
The CAS number of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide is 709643-44-7.
What is the molecular formula of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide?
The molecular formula of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide is C18H19ClN2O2S.
What is the molecular weight of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide?
The molecular weight of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide is 362.09 g/mol.
Where can I buy 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide?
You can request a quote for 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.