![methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4187/418773-80-5.webp)
methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 418773-80-5) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxy late
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.5458 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 766.7485 |
Chemical Identifiers
| CAS Number | 418773-80-5 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 418773-80-5), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: methyl 2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.5458 indicates that methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 418773-80-5.
What is the molecular formula of methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C20H23NO3S.
What is the molecular weight of methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 357.14 g/mol.
Where can I buy methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.