ChemDiv2_005191
TL;DR: ChemDiv2_005191 (CAS 296246-02-1) is a chemical compound with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
Also Known As: ChemDiv2_005191, IDI1_003906, BAS 01508501, 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide, A1674/0071385
| Molecular Formula | C22H26N2O2S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 3.8411 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1715 |
| Heavy Atoms | 27 |
| Complexity | 932.1407 |
Chemical Identifiers
| CAS Number | 296246-02-1 |
|---|---|
| SMILES | CC(C)(CO)NC(=O)CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)SC |
Product Overview
ChemDiv2_005191 (CAS 296246-02-1), with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol. IUPAC: 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
Chemical Property Profile of ChemDiv2_005191
Property Insights of ChemDiv2_005191
The XLogP value of 3.8411 indicates that ChemDiv2_005191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, ChemDiv2_005191 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_005191 has 2 hydrogen bond donor(s) and 3 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 ChemDiv2_005191?
The CAS number of ChemDiv2_005191 is 296246-02-1.
What is the molecular formula of ChemDiv2_005191?
The molecular formula of ChemDiv2_005191 is C22H26N2O2S.
What is the molecular weight of ChemDiv2_005191?
The molecular weight of ChemDiv2_005191 is 382.17 g/mol.
Where can I buy ChemDiv2_005191?
You can request a quote for ChemDiv2_005191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005191?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.