BIM-0036145.P001
TL;DR: BIM-0036145.P001 (CAS 313362-09-3) is a chemical compound with molecular formula C22H24N2OS2 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
Also Known As: BIM-0036145.P001, AB01315006-02, 4-(7,8-dimethyl-1,5-dihydrobenzo[e][1,3]dithiepin-3-yl)-3-methyl-1-(p-tolyl)-1H-pyrazol-5-ol, 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol, 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
| Molecular Formula | C22H24N2OS2 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 5.57808 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.133 |
| Heavy Atoms | 27 |
| Complexity | 1014.4101 |
Chemical Identifiers
| CAS Number | 313362-09-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C3SCC4=C(CS3)C=C(C(=C4)C)C |
Product Overview
BIM-0036145.P001 (CAS 313362-09-3), with molecular formula C22H24N2OS2 and molecular weight 396.13 g/mol. IUPAC: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one.
Chemical Property Profile of BIM-0036145.P001
Property Insights of BIM-0036145.P001
The XLogP value of 5.57808 indicates that BIM-0036145.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, BIM-0036145.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0036145.P001 has 1 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 BIM-0036145.P001?
The CAS number of BIM-0036145.P001 is 313362-09-3.
What is the molecular formula of BIM-0036145.P001?
The molecular formula of BIM-0036145.P001 is C22H24N2OS2.
What is the molecular weight of BIM-0036145.P001?
The molecular weight of BIM-0036145.P001 is 396.13 g/mol.
Where can I buy BIM-0036145.P001?
You can request a quote for BIM-0036145.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0036145.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0036145.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.