2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one
TL;DR: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one (CAS 866137-52-2) is a chemical compound with molecular formula C23H22ClNO4S and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(benzenesulfonyl)-4-(4-chlorophenyl)-7,7-dimethyl-6,8-dihydro-4H-chromen-5-one
Also Known As: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one, 2-amino-3-(benzenesulfonyl)-4-(4-chlorophenyl)-7,7-dimethyl-6,8-dihydro-4H-chromen-5-one, 8T-0614, 2-amino-3-(benzenesulfonyl)-4-(4-chlorophenyl)-7,7-dimethyl-5,6,7,8-tetrahydro-4H-chromen-5-one, 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4H-6,7,8-trihydroch romen-5-one
| Molecular Formula | C23H22ClNO4S |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 4.6987 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.0958 |
| Heavy Atoms | 30 |
| Complexity | 1179.4688 |
Chemical Identifiers
| CAS Number | 866137-52-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)C1)C |
Product Overview
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one (CAS 866137-52-2), with molecular formula C23H22ClNO4S and molecular weight 443.10 g/mol. IUPAC: 2-amino-3-(benzenesulfonyl)-4-(4-chlorophenyl)-7,7-dimethyl-6,8-dihydro-4H-chromen-5-one.
Chemical Property Profile of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one
Property Insights of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one
The XLogP value of 4.6987 indicates that 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one. Following Lipinski's Rule of Five, 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one 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 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one?
The CAS number of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one is 866137-52-2.
What is the molecular formula of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one?
The molecular formula of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one is C23H22ClNO4S.
What is the molecular weight of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one?
The molecular weight of 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one is 443.10 g/mol.
Where can I buy 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one?
You can request a quote for 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one 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-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-3-(phenylsulfonyl)-4,6,7,8-tetrahydro-5H-chromen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.