![Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate structure](/static/products/7316/73168-54-4.webp)
Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate
TL;DR: Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate (CAS 73168-54-4) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-formyl-2-(hydroxymethylidene)-3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)hex-5-enoate
Also Known As: Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate, Methyl (I+/-Z,I(2)S,1S)-I(2)-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-I+/--(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate, methyl 4-formyl-2-(hydroxymethylidene)-3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)hex-5-enoate
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 2.977 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 875.434 |
Chemical Identifiers
| CAS Number | 73168-54-4 |
|---|---|
| SMILES | COC(=O)C(=CO)C(CC1C2=C(CCN1)C3=CC=CC=C3N2)C(C=C)C=O |
Product Overview
Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate (CAS 73168-54-4), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: methyl 4-formyl-2-(hydroxymethylidene)-3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)hex-5-enoate.
Chemical Property Profile of Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate
Property Insights of Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate
The XLogP value of 2.977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate. The TPSA of 91.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate. Following Lipinski's Rule of Five, Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate has 3 hydrogen bond donor(s) and 5 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 (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate?
The CAS number of Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate is 73168-54-4.
What is the molecular formula of Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate?
The molecular formula of Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate is C21H24N2O4.
What is the molecular weight of Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate?
The molecular weight of Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate is 368.17 g/mol.
Where can I buy Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate?
You can request a quote for Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (alphaZ,betaS,1S)-beta-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-alpha-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.