BAS 11413126
TL;DR: BAS 11413126 (CAS 876885-65-3) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413126, 6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43263954, 4-[(3-isopropyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]phenyl methyl ether, 3-isopropyl-6-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C14H16N4OS |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 2.9086 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.1045 |
| Heavy Atoms | 20 |
| Complexity | 714.4363 |
Chemical Identifiers
| CAS Number | 876885-65-3 |
|---|---|
| SMILES | CC(C)C1=NN=C2N1N=C(S2)CC3=CC=C(C=C3)OC |
Product Overview
BAS 11413126 (CAS 876885-65-3), with molecular formula C14H16N4OS and molecular weight 288.10 g/mol. IUPAC: 6-[(4-methoxyphenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413126
Property Insights of BAS 11413126
The XLogP value of 2.9086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11413126. With a topological polar surface area (TPSA) of 52.31 Ų, BAS 11413126 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11413126 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 11413126?
The CAS number of BAS 11413126 is 876885-65-3.
What is the molecular formula of BAS 11413126?
The molecular formula of BAS 11413126 is C14H16N4OS.
What is the molecular weight of BAS 11413126?
The molecular weight of BAS 11413126 is 288.10 g/mol.
Where can I buy BAS 11413126?
You can request a quote for BAS 11413126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413126?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.