SK&F 21687
TL;DR: SK&F 21687 (CAS 4046-86-0) is a chemical compound with molecular formula C13H15N5O and molecular weight 257.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
Also Known As: Skf 21687, CN1c2ccccc2c3nnc(NCCCO)nc13, 3-((5-Methyl-5H-as-triazino(5,6-b)indol-3-yl)amino)-1-propanol, 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol, 1-Propanol,2,4-triazino[5,6-b]indol-3-yl)amino]-
| Molecular Formula | C13H15N5O |
|---|---|
| Molecular Weight | 257.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.12766 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 4046-86-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO |
| InChIKey | HAFUDIVSEQDBAY-UHFFFAOYSA-N |
Product Overview
SK&F 21687 (CAS 4046-86-0), with molecular formula C13H15N5O and molecular weight 257.13 g/mol. IUPAC: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol.
Chemical Property Profile of SK&F 21687
Property Insights of SK&F 21687
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SK&F 21687. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for SK&F 21687. Following Lipinski's Rule of Five, SK&F 21687 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 SK&F 21687?
The CAS number of SK&F 21687 is 4046-86-0.
What is the molecular formula of SK&F 21687?
The molecular formula of SK&F 21687 is C13H15N5O.
What is the molecular weight of SK&F 21687?
The molecular weight of SK&F 21687 is 257.13 g/mol.
Where can I buy SK&F 21687?
You can request a quote for SK&F 21687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK&F 21687?
Yes, KEHONG BIO provides custom synthesis services for SK&F 21687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.