3J-599S
TL;DR: 3J-599S (CAS 338411-59-9) is a chemical compound with molecular formula C22H14Cl2O4S and molecular weight 444.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[3-[(4-chlorophenyl)sulfonylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 3J-599S, (4-chlorophenyl)(3-{[(4-chlorophenyl)sulfonyl]methyl}-1-benzofuran-2-yl)methanone, (4-chlorophenyl)-[3-[(4-chlorophenyl)sulfonylmethyl]-1-benzofuran-2-yl]methanone, 2-(4-chlorobenzoyl)-3-[(4-chlorobenzenesulfonyl)methyl]-1-benzofuran, (4-CHLOROPHENYL)(3-([(4-CHLOROPHENYL)SULFONYL]METHYL)-1-BENZOFURAN-2-YL)METHANONE
| Molecular Formula | C22H14Cl2O4S |
|---|---|
| Molecular Weight | 444.00 g/mol |
| LogP | 5.9445 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.999 |
| Heavy Atoms | 29 |
| Complexity | 1305.4485 |
Chemical Identifiers
| CAS Number | 338411-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
3J-599S (CAS 338411-59-9), with molecular formula C22H14Cl2O4S and molecular weight 444.00 g/mol. IUPAC: (4-chlorophenyl)-[3-[(4-chlorophenyl)sulfonylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 3J-599S
Property Insights of 3J-599S
The XLogP value of 5.9445 indicates that 3J-599S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3J-599S. Following Lipinski's Rule of Five, 3J-599S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3J-599S?
The CAS number of 3J-599S is 338411-59-9.
What is the molecular formula of 3J-599S?
The molecular formula of 3J-599S is C22H14Cl2O4S.
What is the molecular weight of 3J-599S?
The molecular weight of 3J-599S is 444.00 g/mol.
Where can I buy 3J-599S?
You can request a quote for 3J-599S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-599S?
Yes, KEHONG BIO provides custom synthesis services for 3J-599S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.