ChemDiv1_007577
TL;DR: ChemDiv1_007577 (CAS 5806-53-1) is a chemical compound with molecular formula C19H24N2O2S2 and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-(2-methylprop-2-enyl)-5-(2-methylprop-2-enylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv1_007577, BAS 02287896, BIM-0017099.P001, AB00097670-01, AJ-292/37222017
| Molecular Formula | C19H24N2O2S2 |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 4.5536 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.12793 |
| Heavy Atoms | 25 |
| Complexity | 921.6275 |
Chemical Identifiers
| CAS Number | 5806-53-1 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=C)C)SC3=C2CC(OC3)(C)C |
Product Overview
ChemDiv1_007577 (CAS 5806-53-1), with molecular formula C19H24N2O2S2 and molecular weight 376.13 g/mol. IUPAC: 12,12-dimethyl-4-(2-methylprop-2-enyl)-5-(2-methylprop-2-enylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of ChemDiv1_007577
Property Insights of ChemDiv1_007577
The XLogP value of 4.5536 indicates that ChemDiv1_007577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ChemDiv1_007577 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007577 has 0 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 ChemDiv1_007577?
The CAS number of ChemDiv1_007577 is 5806-53-1.
What is the molecular formula of ChemDiv1_007577?
The molecular formula of ChemDiv1_007577 is C19H24N2O2S2.
What is the molecular weight of ChemDiv1_007577?
The molecular weight of ChemDiv1_007577 is 376.13 g/mol.
Where can I buy ChemDiv1_007577?
You can request a quote for ChemDiv1_007577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007577?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.