![2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/4200/420089-54-9.webp)
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 420089-54-9) is a chemical compound with molecular formula C21H23ClN2O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(2E)-3-(3-chlorophenyl)prop-2-enoyl]amino}-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2E)-3-(3-chlorophenyl)prop-2-enoylamino]-6-propyl-4,5,6,7-tetrahydrobenzo[ b]thiophene-3-carboxamide
| Molecular Formula | C21H23ClN2O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 5.0573 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.11688 |
| Heavy Atoms | 27 |
| Complexity | 888.30194 |
Chemical Identifiers
| CAS Number | 420089-54-9 |
|---|---|
| SMILES | CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC(=CC=C3)Cl |
Product Overview
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 420089-54-9), with molecular formula C21H23ClN2O2S and molecular weight 402.12 g/mol. IUPAC: 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 5.0573 indicates that 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 420089-54-9.
What is the molecular formula of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C21H23ClN2O2S.
What is the molecular weight of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 402.12 g/mol.
Where can I buy 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.