C21H28N2O2S2
TL;DR: C21H28N2O2S2 (CAS 499210-62-7) is a chemical compound with molecular formula C21H28N2O2S2 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-12-propan-2-yl-5-prop-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: 2-(allylthio)-3-cyclohexyl-6-isopropyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-cyclohexyl-6-(propan-2-yl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H28N2O2S2 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 5.3386 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1592 |
| Heavy Atoms | 27 |
| Complexity | 893.69916 |
Chemical Identifiers
| CAS Number | 499210-62-7 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC=C)C4CCCCC4 |
Product Overview
C21H28N2O2S2 (CAS 499210-62-7), with molecular formula C21H28N2O2S2 and molecular weight 404.16 g/mol. IUPAC: 4-cyclohexyl-12-propan-2-yl-5-prop-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 C21H28N2O2S2
Property Insights of C21H28N2O2S2
The XLogP value of 5.3386 indicates that C21H28N2O2S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, C21H28N2O2S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H28N2O2S2 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H28N2O2S2?
The CAS number of C21H28N2O2S2 is 499210-62-7.
What is the molecular formula of C21H28N2O2S2?
The molecular formula of C21H28N2O2S2 is C21H28N2O2S2.
What is the molecular weight of C21H28N2O2S2?
The molecular weight of C21H28N2O2S2 is 404.16 g/mol.
Where can I buy C21H28N2O2S2?
You can request a quote for C21H28N2O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H28N2O2S2?
Yes, KEHONG BIO provides custom synthesis services for C21H28N2O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.