![2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate structure](/static/products/792/79261-58-8.png)
2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
TL;DR: 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 79261-58-8) is a chemical compound with molecular formula C18H16NO4- and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
Also Known As: I14-8717, (3S)-2-(phenylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate, (3S)-2-[(benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate, (3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate, 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
| Molecular Formula | C18H16NO4- |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.10794 |
| Heavy Atoms | 23 |
| Complexity | 713.9713 |
Chemical Identifiers
| CAS Number | 79261-58-8 |
|---|---|
| SMILES | C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)[O-] |
Product Overview
2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 79261-58-8), with molecular formula C18H16NO4- and molecular weight 310.11 g/mol. IUPAC: (3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate.
Chemical Property Profile of 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Property Insights of 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. Following Lipinski's Rule of Five, 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate 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 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The CAS number of 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 79261-58-8.
What is the molecular formula of 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular formula of 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is C18H16NO4-.
What is the molecular weight of 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular weight of 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 310.11 g/mol.
Where can I buy 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
You can request a quote for 2-[(Benzyloxy)carbonyl]-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 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.