Pyrroloisoquinoline-1,2-diCOOH analog
TL;DR: Pyrroloisoquinoline-1,2-diCOOH analog (CAS 74618-46-5) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinoline-1,2-dicarboxylate
Also Known As: Pyrroloisoquinoline-1,2-diCOOH analog, BAS 01923091, Pyrrolo(1,2-b)isoquinoline-1,2-dicarboxylic acid, 5,10-dihydro-3-methyl-, dimethyl ester, dimethyl 3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinoline-1,2-dicarboxylate, BRD-K33911305-001-09-7
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 74618-46-5 |
|---|---|
| SMILES | CC1=C(C(=C2N1CC3=CC=CC=C3C2)C(=O)OC)C(=O)OC |
| InChIKey | MKHVRXTUXNLZRI-UHFFFAOYSA-N |
Product Overview
Pyrroloisoquinoline-1,2-diCOOH analog (CAS 74618-46-5), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: dimethyl 3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinoline-1,2-dicarboxylate.
Chemical Property Profile of Pyrroloisoquinoline-1,2-diCOOH analog
Property Insights of Pyrroloisoquinoline-1,2-diCOOH analog
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrroloisoquinoline-1,2-diCOOH analog. With a topological polar surface area (TPSA) of 57.5 Ų, Pyrroloisoquinoline-1,2-diCOOH analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrroloisoquinoline-1,2-diCOOH analog has 0 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 Pyrroloisoquinoline-1,2-diCOOH analog?
The CAS number of Pyrroloisoquinoline-1,2-diCOOH analog is 74618-46-5.
What is the molecular formula of Pyrroloisoquinoline-1,2-diCOOH analog?
The molecular formula of Pyrroloisoquinoline-1,2-diCOOH analog is C17H17NO4.
What is the molecular weight of Pyrroloisoquinoline-1,2-diCOOH analog?
The molecular weight of Pyrroloisoquinoline-1,2-diCOOH analog is 299.12 g/mol.
Where can I buy Pyrroloisoquinoline-1,2-diCOOH analog?
You can request a quote for Pyrroloisoquinoline-1,2-diCOOH analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrroloisoquinoline-1,2-diCOOH analog?
Yes, KEHONG BIO provides custom synthesis services for Pyrroloisoquinoline-1,2-diCOOH analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.