F0834-0508
TL;DR: F0834-0508 (CAS 477508-84-2) is a chemical compound with molecular formula C18H15N3O3S2 and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylcarbamoyl]benzoate
Also Known As: F0834-0508, methyl 4-(((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl)carbamoyl)benzoate, METHYL 4-{[({3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}CARBAMOTHIOYL)AMINO]CARBONYL}BENZOATE, methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylcarbamoyl]benzoate
| Molecular Formula | C18H15N3O3S2 |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 3.02188 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.05548 |
| Heavy Atoms | 26 |
| Complexity | 926.3934 |
Chemical Identifiers
| CAS Number | 477508-84-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N |
Product Overview
F0834-0508 (CAS 477508-84-2), with molecular formula C18H15N3O3S2 and molecular weight 385.06 g/mol. IUPAC: methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylcarbamoyl]benzoate.
Chemical Property Profile of F0834-0508
Property Insights of F0834-0508
The XLogP value of 3.02188 indicates that F0834-0508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F0834-0508. Following Lipinski's Rule of Five, F0834-0508 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 F0834-0508?
The CAS number of F0834-0508 is 477508-84-2.
What is the molecular formula of F0834-0508?
The molecular formula of F0834-0508 is C18H15N3O3S2.
What is the molecular weight of F0834-0508?
The molecular weight of F0834-0508 is 385.06 g/mol.
Where can I buy F0834-0508?
You can request a quote for F0834-0508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0834-0508?
Yes, KEHONG BIO provides custom synthesis services for F0834-0508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.