BAS 04210659
TL;DR: BAS 04210659 (CAS 498550-80-4) is a chemical compound with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
Also Known As: BAS 04210659, AO-080/41816326, 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone, 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide, 1-({[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetyl)piperidine
| Molecular Formula | C14H18N4O2S |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 2.1797 |
| Topological Polar Surface Area | 64.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.11505 |
| Heavy Atoms | 21 |
| Complexity | 602.5275 |
Chemical Identifiers
| CAS Number | 498550-80-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=CO3 |
Product Overview
BAS 04210659 (CAS 498550-80-4), with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of BAS 04210659
Property Insights of BAS 04210659
The XLogP value of 2.1797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04210659. The TPSA of 64.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04210659. Following Lipinski's Rule of Five, BAS 04210659 has 0 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 BAS 04210659?
The CAS number of BAS 04210659 is 498550-80-4.
What is the molecular formula of BAS 04210659?
The molecular formula of BAS 04210659 is C14H18N4O2S.
What is the molecular weight of BAS 04210659?
The molecular weight of BAS 04210659 is 306.12 g/mol.
Where can I buy BAS 04210659?
You can request a quote for BAS 04210659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04210659?
Yes, KEHONG BIO provides custom synthesis services for BAS 04210659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.