F2553-0088
TL;DR: F2553-0088 (CAS 831209-70-2) is a chemical compound with molecular formula C19H21NO3S2 and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methylsulfanylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F2553-0088, ETHYL 2-[2-(METHYLSULFANYL)BENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(2-(methylthio)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-methylsulfanylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[2-(methylsulfanyl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H21NO3S2 |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 4.7778 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.09628 |
| Heavy Atoms | 25 |
| Complexity | 797.96204 |
Chemical Identifiers
| CAS Number | 831209-70-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3SC |
Product Overview
F2553-0088 (CAS 831209-70-2), with molecular formula C19H21NO3S2 and molecular weight 375.10 g/mol. IUPAC: ethyl 2-[(2-methylsulfanylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F2553-0088
Property Insights of F2553-0088
The XLogP value of 4.7778 indicates that F2553-0088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, F2553-0088 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F2553-0088 has 1 hydrogen bond donor(s) and 5 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 F2553-0088?
The CAS number of F2553-0088 is 831209-70-2.
What is the molecular formula of F2553-0088?
The molecular formula of F2553-0088 is C19H21NO3S2.
What is the molecular weight of F2553-0088?
The molecular weight of F2553-0088 is 375.10 g/mol.
Where can I buy F2553-0088?
You can request a quote for F2553-0088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2553-0088?
Yes, KEHONG BIO provides custom synthesis services for F2553-0088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.