BAS 00846120
TL;DR: BAS 00846120 (CAS 312498-30-9) is a chemical compound with molecular formula C18H21ClN2O3S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
Also Known As: BAS 00846120, BIM-0007382.P001, N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-[4-methyl(methylsulfonyl)anilino]acetamide, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C18H21ClN2O3S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 3.32292 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.0682 |
| Heavy Atoms | 26 |
| Complexity | 837.7449 |
Chemical Identifiers
| CAS Number | 312498-30-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C |
Product Overview
BAS 00846120 (CAS 312498-30-9), with molecular formula C18H21ClN2O3S2 and molecular weight 412.07 g/mol. IUPAC: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide.
Chemical Property Profile of BAS 00846120
Property Insights of BAS 00846120
The XLogP value of 3.32292 indicates that BAS 00846120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00846120. Following Lipinski's Rule of Five, BAS 00846120 has 1 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 BAS 00846120?
The CAS number of BAS 00846120 is 312498-30-9.
What is the molecular formula of BAS 00846120?
The molecular formula of BAS 00846120 is C18H21ClN2O3S2.
What is the molecular weight of BAS 00846120?
The molecular weight of BAS 00846120 is 412.07 g/mol.
Where can I buy BAS 00846120?
You can request a quote for BAS 00846120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00846120?
Yes, KEHONG BIO provides custom synthesis services for BAS 00846120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.