F0889-0311
TL;DR: F0889-0311 (CAS 469875-07-8) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
Also Known As: F0889-0311, (E)-4-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate, 4-[(1E)-2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]-2-CYANOETH-1-EN-1-YL]PHENYL 4-METHYLBENZOATE, [4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate, 4-{(1E)-2-[N-(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carbamoyl]- 2-cyanovinyl}phenyl 4-methylbenzoate
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 4.7991 |
| Topological Polar Surface Area | 122.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1363.1481 |
Chemical Identifiers
| CAS Number | 469875-07-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N |
Product Overview
F0889-0311 (CAS 469875-07-8), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: [4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of F0889-0311
Property Insights of F0889-0311
The XLogP value of 4.7991 indicates that F0889-0311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.28 Ų falls within the moderate polarity range, balancing permeability and solubility for F0889-0311. Following Lipinski's Rule of Five, F0889-0311 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 F0889-0311?
The CAS number of F0889-0311 is 469875-07-8.
What is the molecular formula of F0889-0311?
The molecular formula of F0889-0311 is C27H23N3O4S.
What is the molecular weight of F0889-0311?
The molecular weight of F0889-0311 is 485.14 g/mol.
Where can I buy F0889-0311?
You can request a quote for F0889-0311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0889-0311?
Yes, KEHONG BIO provides custom synthesis services for F0889-0311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.