benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
TL;DR: benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 146503-35-7) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Also Known As: AR-011/42531531, benzyl(3r)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate, benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate, BENZYL (3R)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLATE, 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3R)-
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 146503-35-7 |
|---|---|
| SMILES | C1[C@@H](NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3 |
| InChIKey | CAKWIRNQEKMHOR-MRXNPFEDSA-N |
Product Overview
benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 146503-35-7), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate.
Chemical Property Profile of benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Property Insights of benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 38.3 Ų, benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 3 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 benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The CAS number of benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 146503-35-7.
What is the molecular formula of benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular formula of benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is C17H17NO2.
What is the molecular weight of benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular weight of benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 267.13 g/mol.
Where can I buy benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
You can request a quote for benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.