![methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate structure](/static/products/945/94530-77-5.png)
methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate
TL;DR: methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate (CAS 94530-77-5) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate
Also Known As: Picrasidine E, -4- -4-oxo-2-butenoicacidmethylester, (E)-4-(4,8-Dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxo-2-butenoic acid methyl ester, methyl (2E)-4-{4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl}-4-oxobut-2-enoate, methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 2.6452 |
| Topological Polar Surface Area | 90.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 1003.53284 |
Chemical Identifiers
| CAS Number | 94530-77-5 |
|---|---|
| SMILES | COC1=CC=CC2=C1NC3=C2C(=CN=C3C(=O)/C=C/C(=O)OC)OC |
Product Overview
methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate (CAS 94530-77-5), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate.
Chemical Property Profile of methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate
Property Insights of methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate
The XLogP value of 2.6452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate. The TPSA of 90.51 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate has 1 hydrogen bond donor(s) and 6 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 (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate?
The CAS number of methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate is 94530-77-5.
What is the molecular formula of methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate?
The molecular formula of methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate is C18H16N2O5.
What is the molecular weight of methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate?
The molecular weight of methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate is 340.11 g/mol.
Where can I buy methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate?
You can request a quote for methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.