F1589-1170
TL;DR: F1589-1170 (CAS 488137-66-2) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1589-1170, (E)-isopropyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-[(2E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-[(E)-1-cyano-2-(5-methyl-2-thienyl)ethenylcarbonylamino]-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 5.1077 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 976.4281 |
Chemical Identifiers
| CAS Number | 488137-66-2 |
|---|---|
| SMILES | CC1=CC=C(S1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C |
Product Overview
F1589-1170 (CAS 488137-66-2), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: propan-2-yl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1589-1170
Property Insights of F1589-1170
The XLogP value of 5.1077 indicates that F1589-1170 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for F1589-1170. Following Lipinski's Rule of Five, F1589-1170 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 F1589-1170?
The CAS number of F1589-1170 is 488137-66-2.
What is the molecular formula of F1589-1170?
The molecular formula of F1589-1170 is C21H22N2O3S2.
What is the molecular weight of F1589-1170?
The molecular weight of F1589-1170 is 414.11 g/mol.
Where can I buy F1589-1170?
You can request a quote for F1589-1170 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1589-1170?
Yes, KEHONG BIO provides custom synthesis services for F1589-1170 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.