![N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide structure](/static/products/6945/694500-91-9.webp)
N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide
TL;DR: N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide (CAS 694500-91-9) is a chemical compound with molecular formula C27H22N2O2S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Also Known As: N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide, N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
| Molecular Formula | C27H22N2O2S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 6.03942 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1402 |
| Heavy Atoms | 32 |
| Complexity | 1329.0802 |
Chemical Identifiers
| CAS Number | 694500-91-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide (CAS 694500-91-9), with molecular formula C27H22N2O2S and molecular weight 438.14 g/mol. IUPAC: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
Chemical Property Profile of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide
Property Insights of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide
The XLogP value of 6.03942 indicates that N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide?
The CAS number of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide is 694500-91-9.
What is the molecular formula of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide?
The molecular formula of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide is C27H22N2O2S.
What is the molecular weight of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide?
The molecular weight of N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide is 438.14 g/mol.
Where can I buy N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide?
You can request a quote for N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.