Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
TL;DR: Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate (CAS 87803-14-3) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate, methyl 1,2,3,4-tetrahydroisoquinoline-2-carboxylate, methyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate, methyl 3,4-dihydroisoquinoline-2(1H)-carboxylate, J1.003.409D
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.8111 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 348.8957 |
Chemical Identifiers
| CAS Number | 87803-14-3 |
|---|---|
| SMILES | COC(=O)N1CCC2=CC=CC=C2C1 |
Product Overview
Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate (CAS 87803-14-3), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
Property Insights of Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
The XLogP value of 1.8111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate has 0 hydrogen bond donor(s) and 2 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 3,4-dihydro-1H-isoquinoline-2-carboxylate?
The CAS number of Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate is 87803-14-3.
What is the molecular formula of Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate?
The molecular formula of Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate is C11H13NO2.
What is the molecular weight of Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate?
The molecular weight of Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate is 191.09 g/mol.
Where can I buy Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate?
You can request a quote for Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.