Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester
TL;DR: Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester (CAS 67189-82-6) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3,4,5-trihydroxyoxan-2-yl)indol-5-yl] thiocyanate
Also Known As: 1-Pentopyranosyl-5-(thiocyanato)-1H-indole, Thiocyanic acid, 1-.alpha.-L-arabinopyranosyl-1H-indol-5-yl ester, [1-(3,4,5-trihydroxyoxan-2-yl)indol-5-yl] thiocyanate, Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 67189-82-6 |
|---|---|
| SMILES | C1C(C(C(C(O1)N2C=CC3=C2C=CC(=C3)SC#N)O)O)O |
| InChIKey | JVEUNJBUPMFQGE-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester (CAS 67189-82-6), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: [1-(3,4,5-trihydroxyoxan-2-yl)indol-5-yl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester
Property Insights of Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester has 3 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 Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester?
The CAS number of Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester is 67189-82-6.
What is the molecular formula of Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester?
The molecular formula of Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester is C14H14N2O4S.
What is the molecular weight of Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester?
The molecular weight of Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester is 306.07 g/mol.
Where can I buy Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester?
You can request a quote for Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.