![propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/1005/1005245-07-7.webp)
propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 1005245-07-7) is a chemical compound with molecular formula C28H29NO3S and molecular weight 459.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 6-phenyl-2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 6-phenyl-2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 6-phenyl-2-[(2-phenylcyclopropyl)carbonylamino]-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carboxylate
| Molecular Formula | C28H29NO3S |
|---|---|
| Molecular Weight | 459.19 g/mol |
| LogP | 6.3296 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.18683 |
| Heavy Atoms | 33 |
| Complexity | 1138.709 |
Chemical Identifiers
| CAS Number | 1005245-07-7 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4CC4C5=CC=CC=C5 |
Product Overview
propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 1005245-07-7), with molecular formula C28H29NO3S and molecular weight 459.19 g/mol. IUPAC: propyl 6-phenyl-2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.3296 indicates that propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]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 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]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 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]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 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 1005245-07-7.
What is the molecular formula of propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C28H29NO3S.
What is the molecular weight of propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 459.19 g/mol.
Where can I buy propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]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 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 6-phenyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.