BAS 09654056
TL;DR: BAS 09654056 (CAS 675870-16-3) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: BAS 09654056, 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(indolin-1-yl)ethanone, (6Z)-6-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one, 1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 6-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.5181 |
| Topological Polar Surface Area | 71.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1030.75 |
Chemical Identifiers
| CAS Number | 675870-16-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=CC=C4O |
Product Overview
BAS 09654056 (CAS 675870-16-3), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of BAS 09654056
Property Insights of BAS 09654056
The XLogP value of 3.5181 indicates that BAS 09654056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09654056. Following Lipinski's Rule of Five, BAS 09654056 has 1 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 09654056?
The CAS number of BAS 09654056 is 675870-16-3.
What is the molecular formula of BAS 09654056?
The molecular formula of BAS 09654056 is C21H20N4O2S.
What is the molecular weight of BAS 09654056?
The molecular weight of BAS 09654056 is 392.13 g/mol.
Where can I buy BAS 09654056?
You can request a quote for BAS 09654056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09654056?
Yes, KEHONG BIO provides custom synthesis services for BAS 09654056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.