BAS 07007983
TL;DR: BAS 07007983 (CAS 848064-81-3) is a chemical compound with molecular formula C22H21N7OS and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: BAS 07007983, 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone, 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)ethanone, REGID_for_CID_664594
| Molecular Formula | C22H21N7OS |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.15283 |
| Heavy Atoms | 31 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 848064-81-3 |
|---|---|
| SMILES | C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CSC5=NC=NN5 |
| InChIKey | ZBGSGYMGYYFAAH-UHFFFAOYSA-N |
Product Overview
BAS 07007983 (CAS 848064-81-3), with molecular formula C22H21N7OS and molecular weight 431.15 g/mol. IUPAC: 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of BAS 07007983
Property Insights of BAS 07007983
The XLogP value of 3.1 indicates that BAS 07007983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07007983. Following Lipinski's Rule of Five, BAS 07007983 has 1 hydrogen bond donor(s) and 7 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 07007983?
The CAS number of BAS 07007983 is 848064-81-3.
What is the molecular formula of BAS 07007983?
The molecular formula of BAS 07007983 is C22H21N7OS.
What is the molecular weight of BAS 07007983?
The molecular weight of BAS 07007983 is 431.15 g/mol.
Where can I buy BAS 07007983?
You can request a quote for BAS 07007983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07007983?
Yes, KEHONG BIO provides custom synthesis services for BAS 07007983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.