![Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate structure](/static/products/1045/104537-94-2.webp)
Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate
TL;DR: Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate (CAS 104537-94-2) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: Flazin, methyl ester, Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate, methyl 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-[5-(hydroxymethyl)-2-furyl]-9h-b-carboline-3-carboxylate, Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate #
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.255 |
| Topological Polar Surface Area | 88.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 1061.4506 |
Chemical Identifiers
| CAS Number | 104537-94-2 |
|---|---|
| SMILES | COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC=C(O4)CO |
Product Overview
Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate (CAS 104537-94-2), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: methyl 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate
Property Insights of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate
The XLogP value of 3.255 indicates that Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate. Following Lipinski's Rule of Five, Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate has 2 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 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate?
The CAS number of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate is 104537-94-2.
What is the molecular formula of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate?
The molecular formula of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate is C18H14N2O4.
What is the molecular weight of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate?
The molecular weight of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate is 322.10 g/mol.
Where can I buy Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate?
You can request a quote for Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-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 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.