F2558-0147
TL;DR: F2558-0147 (CAS 896345-37-2) is a chemical compound with molecular formula C18H19NO5S2 and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F2558-0147, methyl 2-(4-methanesulfonylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(4-(methylsulfonyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-(p-mesylbenzylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate, methyl 2-[(4-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H19NO5S2 |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 3.0693 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.07047 |
| Heavy Atoms | 26 |
| Complexity | 958.2128 |
Chemical Identifiers
| CAS Number | 896345-37-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C |
Product Overview
F2558-0147 (CAS 896345-37-2), with molecular formula C18H19NO5S2 and molecular weight 393.07 g/mol. IUPAC: methyl 2-[(4-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F2558-0147
Property Insights of F2558-0147
The XLogP value of 3.0693 indicates that F2558-0147 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for F2558-0147. Following Lipinski's Rule of Five, F2558-0147 has 1 hydrogen bond donor(s) and 6 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 F2558-0147?
The CAS number of F2558-0147 is 896345-37-2.
What is the molecular formula of F2558-0147?
The molecular formula of F2558-0147 is C18H19NO5S2.
What is the molecular weight of F2558-0147?
The molecular weight of F2558-0147 is 393.07 g/mol.
Where can I buy F2558-0147?
You can request a quote for F2558-0147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2558-0147?
Yes, KEHONG BIO provides custom synthesis services for F2558-0147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.