F0554-0998
TL;DR: F0554-0998 (CAS 497073-38-8) is a chemical compound with molecular formula C27H26BrN3O4S and molecular weight 567.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide
Also Known As: F0554-0998, N-[2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide, N-(2-(3-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,4-dimethoxybenzamide, N-[2-[3-[(4-bromophenyl)carbamoylmethylsulfanyl]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide, N-{2-[3-({[(4-BROMOPHENYL)CARBAMOYL]METHYL}SULFANYL)-1H-INDOL-1-YL]ETHYL}-3,4-DIMETHOXYBENZAMIDE
| Molecular Formula | C27H26BrN3O4S |
|---|---|
| Molecular Weight | 567.08 g/mol |
| LogP | 5.5818 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 567.08276 |
| Heavy Atoms | 36 |
| Complexity | 1371.464 |
Chemical Identifiers
| CAS Number | 497073-38-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)Br)OC |
Product Overview
F0554-0998 (CAS 497073-38-8), with molecular formula C27H26BrN3O4S and molecular weight 567.08 g/mol. IUPAC: N-[2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of F0554-0998
Property Insights of F0554-0998
The XLogP value of 5.5818 indicates that F0554-0998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0554-0998. Following Lipinski's Rule of Five, F0554-0998 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0554-0998?
The CAS number of F0554-0998 is 497073-38-8.
What is the molecular formula of F0554-0998?
The molecular formula of F0554-0998 is C27H26BrN3O4S.
What is the molecular weight of F0554-0998?
The molecular weight of F0554-0998 is 567.08 g/mol.
Where can I buy F0554-0998?
You can request a quote for F0554-0998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0998?
Yes, KEHONG BIO provides custom synthesis services for F0554-0998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.