Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate
TL;DR: Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate (CAS 618444-30-7) is a chemical compound with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-propan-2-ylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate
Also Known As: Ethyl 3-((4-isopropylphenyl)carbamoyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate, ETHYL 3-((4-ISOPROPYLANILINO)CARBONYL)PYRROLO(2,1-A)ISOQUINOLINE-1-CARBOXYLATE, ethyl 3-[(4-propan-2-ylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate, 645-275-3, RefChem:594594
| Molecular Formula | C25H24N2O3 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 5.6449 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.17868 |
| Heavy Atoms | 30 |
| Complexity | 1236.7169 |
Chemical Identifiers
| CAS Number | 618444-30-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)NC4=CC=C(C=C4)C(C)C |
Product Overview
Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate (CAS 618444-30-7), with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol. IUPAC: ethyl 3-[(4-propan-2-ylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate.
Chemical Property Profile of Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate
Property Insights of Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate
The XLogP value of 5.6449 indicates that Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate has 1 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 Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate?
The CAS number of Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate is 618444-30-7.
What is the molecular formula of Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate?
The molecular formula of Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate is C25H24N2O3.
What is the molecular weight of Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate?
The molecular weight of Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate is 400.18 g/mol.
Where can I buy Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate?
You can request a quote for Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-((4-isopropylanilino)carbonyl)pyrrolo(2,1-A)isoquinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.