BAS 00793699
TL;DR: BAS 00793699 (CAS 301160-61-2) is a chemical compound with molecular formula C20H17ClN2OS and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-3-phenylprop-2-en-1-one
Also Known As: BAS 00793699, (E)-1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-3-phenylprop-2-en-1-one, 4-[(4-chlorophenyl)sulfanyl]-1-cinnamoyl-3,5-dimethyl-1H-pyrazole, 1-[4-(4-Chloro-phenylsulfanyl)-3,5-dimethyl-pyrazol-1-yl]-3-phenyl-propenone
| Molecular Formula | C20H17ClN2OS |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 5.65814 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.075 |
| Heavy Atoms | 25 |
| Complexity | 914.87415 |
Chemical Identifiers
| CAS Number | 301160-61-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)/C=C/C2=CC=CC=C2)C)SC3=CC=C(C=C3)Cl |
Product Overview
BAS 00793699 (CAS 301160-61-2), with molecular formula C20H17ClN2OS and molecular weight 368.07 g/mol. IUPAC: (E)-1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-3-phenylprop-2-en-1-one.
Chemical Property Profile of BAS 00793699
Property Insights of BAS 00793699
The XLogP value of 5.65814 indicates that BAS 00793699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 00793699 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00793699 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00793699?
The CAS number of BAS 00793699 is 301160-61-2.
What is the molecular formula of BAS 00793699?
The molecular formula of BAS 00793699 is C20H17ClN2OS.
What is the molecular weight of BAS 00793699?
The molecular weight of BAS 00793699 is 368.07 g/mol.
Where can I buy BAS 00793699?
You can request a quote for BAS 00793699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00793699?
Yes, KEHONG BIO provides custom synthesis services for BAS 00793699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.