ChemDiv1_004442
TL;DR: ChemDiv1_004442 (CAS 332034-95-4) is a chemical compound with molecular formula C26H29ClN2O5S2 and molecular weight 548.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
Also Known As: ChemDiv1_004442, BAS 00845564, N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide, N-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-methylanilino}acetamide, N-(2-{[(3-CHLOROPHENYL)METHYL]SULFANYL}ETHYL)-2-[N-(4-METHYLPHENYL)3,4-DIMETHOXYBENZENESULFONAMIDO]ACETAMIDE
| Molecular Formula | C26H29ClN2O5S2 |
|---|---|
| Molecular Weight | 548.12 g/mol |
| LogP | 4.91052 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 548.12067 |
| Heavy Atoms | 36 |
| Complexity | 1283.747 |
Chemical Identifiers
| CAS Number | 332034-95-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
ChemDiv1_004442 (CAS 332034-95-4), with molecular formula C26H29ClN2O5S2 and molecular weight 548.12 g/mol. IUPAC: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide.
Chemical Property Profile of ChemDiv1_004442
Property Insights of ChemDiv1_004442
The XLogP value of 4.91052 indicates that ChemDiv1_004442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004442. Following Lipinski's Rule of Five, ChemDiv1_004442 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 ChemDiv1_004442?
The CAS number of ChemDiv1_004442 is 332034-95-4.
What is the molecular formula of ChemDiv1_004442?
The molecular formula of ChemDiv1_004442 is C26H29ClN2O5S2.
What is the molecular weight of ChemDiv1_004442?
The molecular weight of ChemDiv1_004442 is 548.12 g/mol.
Where can I buy ChemDiv1_004442?
You can request a quote for ChemDiv1_004442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004442?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.