BAS 10231200
TL;DR: BAS 10231200 (CAS 727419-72-9) is a chemical compound with molecular formula C19H16FN5OS and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[1-(4-fluorophenyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: BAS 10231200, 2-[[4-[1-(4-fluorophenyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one, 2-((4-(1-(4-fluorophenyl)ethyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one, 2-({4-[(4-fluorophenyl)ethyl]-5-sulfanyl-1,2,4-triazol-3-yl}methyl)-2-hydropht halazin-1-one, 2-({4-[1-(4-Fluorophenyl)ethyl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one
| Molecular Formula | C19H16FN5OS |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.44729 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.10596 |
| Heavy Atoms | 27 |
| Complexity | 1225.3129 |
Chemical Identifiers
| CAS Number | 727419-72-9 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)F)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3 |
Product Overview
BAS 10231200 (CAS 727419-72-9), with molecular formula C19H16FN5OS and molecular weight 381.11 g/mol. IUPAC: 2-[[4-[1-(4-fluorophenyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of BAS 10231200
Property Insights of BAS 10231200
The XLogP value of 3.44729 indicates that BAS 10231200 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10231200. Following Lipinski's Rule of Five, BAS 10231200 has 1 hydrogen bond donor(s) and 4 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 10231200?
The CAS number of BAS 10231200 is 727419-72-9.
What is the molecular formula of BAS 10231200?
The molecular formula of BAS 10231200 is C19H16FN5OS.
What is the molecular weight of BAS 10231200?
The molecular weight of BAS 10231200 is 381.11 g/mol.
Where can I buy BAS 10231200?
You can request a quote for BAS 10231200 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10231200?
Yes, KEHONG BIO provides custom synthesis services for BAS 10231200 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.