F2554-0181
TL;DR: F2554-0181 (CAS 896341-08-5) is a chemical compound with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-[(3-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: F2554-0181, ethyl 3-carbamoyl-2-[3-(methylsulfanyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-(3-(methylthio)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-carbamoyl-2-[(3-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-[m-(methylthio)benzylamino]-1-thia-6-aza-4,5,6,7-tetrahydro-6-indenecarboxylate
| Molecular Formula | C19H21N3O4S2 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.3358 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.09735 |
| Heavy Atoms | 28 |
| Complexity | 925.8977 |
Chemical Identifiers
| CAS Number | 896341-08-5 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)SC |
Product Overview
F2554-0181 (CAS 896341-08-5), with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol. IUPAC: ethyl 3-carbamoyl-2-[(3-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of F2554-0181
Property Insights of F2554-0181
The XLogP value of 3.3358 indicates that F2554-0181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F2554-0181. Following Lipinski's Rule of Five, F2554-0181 has 2 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 F2554-0181?
The CAS number of F2554-0181 is 896341-08-5.
What is the molecular formula of F2554-0181?
The molecular formula of F2554-0181 is C19H21N3O4S2.
What is the molecular weight of F2554-0181?
The molecular weight of F2554-0181 is 419.10 g/mol.
Where can I buy F2554-0181?
You can request a quote for F2554-0181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2554-0181?
Yes, KEHONG BIO provides custom synthesis services for F2554-0181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.