F1118-0438
TL;DR: F1118-0438 (CAS 327075-86-5) is a chemical compound with molecular formula C25H22FN3O3S and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Also Known As: F1118-0438, ETHYL 2-[(2E)-2-CYANO-3-[4-(DIMETHYLAMINO)PHENYL]PROP-2-ENAMIDO]-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE, (E)-ethyl 2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)-4-(4-fluorophenyl)thiophene-3-carboxylate, ethyl 2-({(2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}amino)-4-(4-fluorophenyl)thiophene-3-carboxylate, ethyl 2-[(E)-1-cyano-2-[p-(dimethylamino)phenyl]ethenylcarbonylamino]-4-(p-fluorophenyl)-3-thenoate
| Molecular Formula | C25H22FN3O3S |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 5.34258 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.1366 |
| Heavy Atoms | 33 |
| Complexity | 1223.2782 |
Chemical Identifiers
| CAS Number | 327075-86-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C#N |
Product Overview
F1118-0438 (CAS 327075-86-5), with molecular formula C25H22FN3O3S and molecular weight 463.14 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of F1118-0438
Property Insights of F1118-0438
The XLogP value of 5.34258 indicates that F1118-0438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F1118-0438. Following Lipinski's Rule of Five, F1118-0438 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1118-0438?
The CAS number of F1118-0438 is 327075-86-5.
What is the molecular formula of F1118-0438?
The molecular formula of F1118-0438 is C25H22FN3O3S.
What is the molecular weight of F1118-0438?
The molecular weight of F1118-0438 is 463.14 g/mol.
Where can I buy F1118-0438?
You can request a quote for F1118-0438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1118-0438?
Yes, KEHONG BIO provides custom synthesis services for F1118-0438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.