3-Selenomethylanilin
TL;DR: 3-Selenomethylanilin (CAS 17460-38-7) is a chemical compound with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
Also Known As: 3-Selenomethylanilin, 3-Methylseleno-anilin, Methyl 3-azido-4,6-O-benzylidene-3-deoxyhexopyranoside, 2-azido-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decan-3-ol, 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
| Molecular Formula | C14H17N3O5 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 1.5117 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.11682 |
| Heavy Atoms | 22 |
| Complexity | 550.6691 |
Chemical Identifiers
| CAS Number | 17460-38-7 |
|---|---|
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)N=[N+]=[N-])O |
Product Overview
3-Selenomethylanilin (CAS 17460-38-7), with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol. IUPAC: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.
Chemical Property Profile of 3-Selenomethylanilin
Property Insights of 3-Selenomethylanilin
The XLogP value of 1.5117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Selenomethylanilin. The TPSA of 105.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Selenomethylanilin. Following Lipinski's Rule of Five, 3-Selenomethylanilin 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 3-Selenomethylanilin?
The CAS number of 3-Selenomethylanilin is 17460-38-7.
What is the molecular formula of 3-Selenomethylanilin?
The molecular formula of 3-Selenomethylanilin is C14H17N3O5.
What is the molecular weight of 3-Selenomethylanilin?
The molecular weight of 3-Selenomethylanilin is 307.12 g/mol.
Where can I buy 3-Selenomethylanilin?
You can request a quote for 3-Selenomethylanilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Selenomethylanilin?
Yes, KEHONG BIO provides custom synthesis services for 3-Selenomethylanilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.