![2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole structure](/static/products/400/400772-18-1.png)
2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole
TL;DR: 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole (CAS 400772-18-1) is a chemical compound with molecular formula C28H26N4O3S and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
Also Known As: 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole, 2-[[2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole, 6-methoxy-1-(4-methoxy-3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-beta-carboline, GNF-Pf-144
| Molecular Formula | C28H26N4O3S |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 5.7625 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.17258 |
| Heavy Atoms | 36 |
| Complexity | 1512.3181 |
Chemical Identifiers
| CAS Number | 400772-18-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CC(=C(C=C4)OC)CSC5=NN=C(O5)C6=CC=CC=C6 |
Product Overview
2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole (CAS 400772-18-1), with molecular formula C28H26N4O3S and molecular weight 498.17 g/mol. IUPAC: 2-[[2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
Chemical Property Profile of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole
Property Insights of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole
The XLogP value of 5.7625 indicates that 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole?
The CAS number of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole is 400772-18-1.
What is the molecular formula of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole?
The molecular formula of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole is C28H26N4O3S.
What is the molecular weight of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole?
The molecular weight of 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole is 498.17 g/mol.
Where can I buy 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole?
You can request a quote for 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-methoxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)-5-phenyl-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.