C21H32N4OS2
TL;DR: C21H32N4OS2 (CAS 847160-92-3) is a chemical compound with molecular formula C21H32N4OS2 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethyl-3-(4-ethylpiperazin-1-yl)-12-methyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
Also Known As: 6-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 6-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C21H32N4OS2 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 4.5767 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.20175 |
| Heavy Atoms | 28 |
| Complexity | 831.41016 |
Chemical Identifiers
| CAS Number | 847160-92-3 |
|---|---|
| SMILES | CCCSC1=NC(=C2C3=C(COC(C3)(C)CC)SC2=N1)N4CCN(CC4)CC |
Product Overview
C21H32N4OS2 (CAS 847160-92-3), with molecular formula C21H32N4OS2 and molecular weight 420.20 g/mol. IUPAC: 12-ethyl-3-(4-ethylpiperazin-1-yl)-12-methyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.
Chemical Property Profile of C21H32N4OS2
Property Insights of C21H32N4OS2
The XLogP value of 4.5767 indicates that C21H32N4OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, C21H32N4OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H32N4OS2 has 0 hydrogen bond donor(s) and 7 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 C21H32N4OS2?
The CAS number of C21H32N4OS2 is 847160-92-3.
What is the molecular formula of C21H32N4OS2?
The molecular formula of C21H32N4OS2 is C21H32N4OS2.
What is the molecular weight of C21H32N4OS2?
The molecular weight of C21H32N4OS2 is 420.20 g/mol.
Where can I buy C21H32N4OS2?
You can request a quote for C21H32N4OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H32N4OS2?
Yes, KEHONG BIO provides custom synthesis services for C21H32N4OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.