F2554-0149
TL;DR: F2554-0149 (CAS 896339-98-3) is a chemical compound with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methylsulfanylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: F2554-0149, methyl 2-(3-(methylthio)benzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(3-methylsulfanylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[3-(methylsulfanyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H17NO3S2 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 3.9976 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.06497 |
| Heavy Atoms | 23 |
| Complexity | 767.19415 |
Chemical Identifiers
| CAS Number | 896339-98-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC=C3)SC |
Product Overview
F2554-0149 (CAS 896339-98-3), with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol. IUPAC: methyl 2-[(3-methylsulfanylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of F2554-0149
Property Insights of F2554-0149
The XLogP value of 3.9976 indicates that F2554-0149 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, F2554-0149 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F2554-0149 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 F2554-0149?
The CAS number of F2554-0149 is 896339-98-3.
What is the molecular formula of F2554-0149?
The molecular formula of F2554-0149 is C17H17NO3S2.
What is the molecular weight of F2554-0149?
The molecular weight of F2554-0149 is 347.06 g/mol.
Where can I buy F2554-0149?
You can request a quote for F2554-0149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2554-0149?
Yes, KEHONG BIO provides custom synthesis services for F2554-0149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.