BAS 03353262
TL;DR: BAS 03353262 (CAS 325694-11-9) is a chemical compound with molecular formula C12H9N3OS2 and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)-3-thiophen-2-ylprop-2-en-1-one
Also Known As: BAS 03353262, BIM-0047446.P001, (2E)-1-[3-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-(thiophen-2-yl)prop-2-en-1-one, F0478-0015, (E)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)-3-thiophen-2-ylprop-2-en-1-one
| Molecular Formula | C12H9N3OS2 |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 2.4185 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0187 |
| Heavy Atoms | 18 |
| Complexity | 593.12115 |
Chemical Identifiers
| CAS Number | 325694-11-9 |
|---|---|
| SMILES | C#CCSC1=NN=CN1C(=O)/C=C/C2=CC=CS2 |
Product Overview
BAS 03353262 (CAS 325694-11-9), with molecular formula C12H9N3OS2 and molecular weight 275.02 g/mol. IUPAC: (E)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)-3-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of BAS 03353262
Property Insights of BAS 03353262
The XLogP value of 2.4185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03353262. With a topological polar surface area (TPSA) of 47.78 Ų, BAS 03353262 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03353262 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 03353262?
The CAS number of BAS 03353262 is 325694-11-9.
What is the molecular formula of BAS 03353262?
The molecular formula of BAS 03353262 is C12H9N3OS2.
What is the molecular weight of BAS 03353262?
The molecular weight of BAS 03353262 is 275.02 g/mol.
Where can I buy BAS 03353262?
You can request a quote for BAS 03353262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03353262?
Yes, KEHONG BIO provides custom synthesis services for BAS 03353262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.