![propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/3526/352639-55-5.webp)
propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352639-55-5) is a chemical compound with molecular formula C23H31NO3S and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H31NO3S |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 5.3486 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.20245 |
| Heavy Atoms | 28 |
| Complexity | 760.72906 |
Chemical Identifiers
| CAS Number | 352639-55-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 352639-55-5), with molecular formula C23H31NO3S and molecular weight 401.20 g/mol. IUPAC: propyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.3486 indicates that propyl 2-[(1-adamantylcarbonyl)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, propyl 2-[(1-adamantylcarbonyl)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, propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 352639-55-5.
What is the molecular formula of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C23H31NO3S.
What is the molecular weight of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 401.20 g/mol.
Where can I buy propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for propyl 2-[(1-adamantylcarbonyl)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 propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.