依托雷司
TL;DR: 依托雷司 (CAS 54063-36-4) is a chemical compound with molecular formula C15H13ClN2O2S and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依托雷司
4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonyl chloride
Also Known As: 4-Ppbsc, 4- benzenesulfonylchloride, 4-(3'-Phenyl-2'-pyrazolin-1'-yl)benzenesulfonyl chloride, Benzenesulfonyl chloride, 4-(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)-, 4-(3-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonyl chloride
| Molecular Formula | C15H13ClN2O2S |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.03864 |
| Heavy Atoms | 21 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 54063-36-4 |
|---|---|
| SMILES | C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)Cl |
| InChIKey | YEWUENGGJVOXJM-UHFFFAOYSA-N |
Product Overview
依托雷司 (CAS 54063-36-4), with molecular formula C15H13ClN2O2S and molecular weight 320.04 g/mol. IUPAC: 4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonyl chloride.
Chemical Property Profile of 依托雷司
Property Insights of 依托雷司
The XLogP value of 3.5 indicates that 依托雷司 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 依托雷司 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依托雷司 has 0 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 依托雷司?
The CAS number of 依托雷司 is 54063-36-4.
What is the molecular formula of 依托雷司?
The molecular formula of 依托雷司 is C15H13ClN2O2S.
What is the molecular weight of 依托雷司?
The molecular weight of 依托雷司 is 320.04 g/mol.
Where can I buy 依托雷司?
You can request a quote for 依托雷司 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依托雷司?
Yes, KEHONG BIO provides custom synthesis services for 依托雷司 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.