F1736-2036
TL;DR: F1736-2036 (CAS 868154-75-0) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: F1736-2036, 2-[(2E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, (E)-2-(2-cyano-3-(3-hydroxy-4-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.98568 |
| Topological Polar Surface Area | 125.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 1017.1886 |
Chemical Identifiers
| CAS Number | 868154-75-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)O |
Product Overview
F1736-2036 (CAS 868154-75-0), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 2-[[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of F1736-2036
Property Insights of F1736-2036
The XLogP value of 2.98568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1736-2036. The TPSA of 125.44 Ų falls within the moderate polarity range, balancing permeability and solubility for F1736-2036. Following Lipinski's Rule of Five, F1736-2036 has 3 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 F1736-2036?
The CAS number of F1736-2036 is 868154-75-0.
What is the molecular formula of F1736-2036?
The molecular formula of F1736-2036 is C20H19N3O4S.
What is the molecular weight of F1736-2036?
The molecular weight of F1736-2036 is 397.11 g/mol.
Where can I buy F1736-2036?
You can request a quote for F1736-2036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1736-2036?
Yes, KEHONG BIO provides custom synthesis services for F1736-2036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.