F1736-1954
TL;DR: F1736-1954 (CAS 464907-03-7) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1736-1954, (E)-methyl 2-(2-cyano-3-(2-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-[(2E)-2-CYANO-3-(2-METHOXYPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[[(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(E)-1-cyano-2-(o-methoxyphenyl)ethenylcarbonylamino]-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.96778 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 984.77716 |
Chemical Identifiers
| CAS Number | 464907-03-7 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
F1736-1954 (CAS 464907-03-7), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1736-1954
Property Insights of F1736-1954
The XLogP value of 3.96778 indicates that F1736-1954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for F1736-1954. Following Lipinski's Rule of Five, F1736-1954 has 1 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 F1736-1954?
The CAS number of F1736-1954 is 464907-03-7.
What is the molecular formula of F1736-1954?
The molecular formula of F1736-1954 is C21H20N2O4S.
What is the molecular weight of F1736-1954?
The molecular weight of F1736-1954 is 396.11 g/mol.
Where can I buy F1736-1954?
You can request a quote for F1736-1954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1736-1954?
Yes, KEHONG BIO provides custom synthesis services for F1736-1954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.