RefChem:1100033
TL;DR: RefChem:1100033 (CAS 83376-84-5) is a chemical compound with molecular formula C24H28N2O2S and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aR,7E)-7-benzylidene-3-(4-methylphenyl)-2-propylsulfanyl-3,3a,4,6-tetrahydroindazole-5,5-diol
Also Known As: Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-, (3S,3aR,7E)-7-benzylidene-3-(4-methylphenyl)-2-propylsulfanyl-3,3a,4,6-tetrahydroindazole-5,5-diol, RefChem:1100033, BRN 1048553
| Molecular Formula | C24H28N2O2S |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 4.94042 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.18716 |
| Heavy Atoms | 29 |
| Complexity | 906.23773 |
Chemical Identifiers
| CAS Number | 83376-84-5 |
|---|---|
| SMILES | CCCSN1[C@@H]([C@H]2CC(C/C(=C\C3=CC=CC=C3)/C2=N1)(O)O)C4=CC=C(C=C4)C |
Product Overview
RefChem:1100033 (CAS 83376-84-5), with molecular formula C24H28N2O2S and molecular weight 408.19 g/mol. IUPAC: (3S,3aR,7E)-7-benzylidene-3-(4-methylphenyl)-2-propylsulfanyl-3,3a,4,6-tetrahydroindazole-5,5-diol.
Chemical Property Profile of RefChem:1100033
Property Insights of RefChem:1100033
The XLogP value of 4.94042 indicates that RefChem:1100033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, RefChem:1100033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1100033 has 2 hydrogen bond donor(s) and 5 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 RefChem:1100033?
The CAS number of RefChem:1100033 is 83376-84-5.
What is the molecular formula of RefChem:1100033?
The molecular formula of RefChem:1100033 is C24H28N2O2S.
What is the molecular weight of RefChem:1100033?
The molecular weight of RefChem:1100033 is 408.19 g/mol.
Where can I buy RefChem:1100033?
You can request a quote for RefChem:1100033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100033?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.