methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
TL;DR: methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (CAS 956236-93-4) is a chemical compound with molecular formula C20H25N3O3 and molecular weight 355.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-2-(2-piperidin-1-ylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Also Known As: methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate, (S)-methyl 2-(2-(piperidin-1-yl)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl (3S)-2-(2-piperidin-1-ylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
| Molecular Formula | C20H25N3O3 |
|---|---|
| Molecular Weight | 355.19 g/mol |
| LogP | 2.0801 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.1896 |
| Heavy Atoms | 26 |
| Complexity | 822.8158 |
Chemical Identifiers
| CAS Number | 956236-93-4 |
|---|---|
| SMILES | COC(=O)[C@@H]1CC2=C(CN1C(=O)CN3CCCCC3)NC4=CC=CC=C24 |
Product Overview
methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (CAS 956236-93-4), with molecular formula C20H25N3O3 and molecular weight 355.19 g/mol. IUPAC: methyl (3S)-2-(2-piperidin-1-ylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Property Insights of methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
The XLogP value of 2.0801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate. Following Lipinski's Rule of Five, methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate has 1 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 methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The CAS number of methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is 956236-93-4.
What is the molecular formula of methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The molecular formula of methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is C20H25N3O3.
What is the molecular weight of methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The molecular weight of methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is 355.19 g/mol.
Where can I buy methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
You can request a quote for methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3S)-2-(piperidin-1-ylacetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.