BAS 12915111
TL;DR: BAS 12915111 (CAS 878419-44-4) is a chemical compound with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one
Also Known As: BAS 12915111, A3948/0168177, 2-(2-(4-(2,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)phthalazin-1(2H)-one, 2-[2-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one, 2-{2-[4-(2,5-DIMETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL]ETHYL}-1(2H)-PHTHALAZINONE
| Molecular Formula | C20H19N5O3S |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 2.89969 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.12085 |
| Heavy Atoms | 29 |
| Complexity | 1291.2566 |
Chemical Identifiers
| CAS Number | 878419-44-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3 |
Product Overview
BAS 12915111 (CAS 878419-44-4), with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol. IUPAC: 2-[2-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one.
Chemical Property Profile of BAS 12915111
Property Insights of BAS 12915111
The XLogP value of 2.89969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12915111. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12915111. Following Lipinski's Rule of Five, BAS 12915111 has 1 hydrogen bond donor(s) and 6 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 12915111?
The CAS number of BAS 12915111 is 878419-44-4.
What is the molecular formula of BAS 12915111?
The molecular formula of BAS 12915111 is C20H19N5O3S.
What is the molecular weight of BAS 12915111?
The molecular weight of BAS 12915111 is 409.12 g/mol.
Where can I buy BAS 12915111?
You can request a quote for BAS 12915111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12915111?
Yes, KEHONG BIO provides custom synthesis services for BAS 12915111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.