C16H21N3OS2
TL;DR: C16H21N3OS2 (CAS 904009-15-0) is a chemical compound with molecular formula C16H21N3OS2 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,11-dimethyl-4-methylsulfanyl-6-pyrrolidin-1-yl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 7,7-dimethyl-2-(methylsulfanyl)-4-(pyrrolidin-1-yl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine, 7,7-dimethyl-2-(methylthio)-4-(pyrrolidin-1-yl)-7,9-dihydro-6H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine, 7,7-dimethyl-2-methylsulfanyl-4-pyrrolidin-1-yl-6,9-dihydropyrano[2,3]thieno[2,4-b]pyrimidine
| Molecular Formula | C16H21N3OS2 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 3.8647 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.1126 |
| Heavy Atoms | 22 |
| Complexity | 719.7395 |
Chemical Identifiers
| CAS Number | 904009-15-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=NC(=N3)SC)N4CCCC4)C |
Product Overview
C16H21N3OS2 (CAS 904009-15-0), with molecular formula C16H21N3OS2 and molecular weight 335.11 g/mol. IUPAC: 11,11-dimethyl-4-methylsulfanyl-6-pyrrolidin-1-yl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of C16H21N3OS2
Property Insights of C16H21N3OS2
The XLogP value of 3.8647 indicates that C16H21N3OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.25 Ų, C16H21N3OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H21N3OS2 has 0 hydrogen bond donor(s) and 6 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 C16H21N3OS2?
The CAS number of C16H21N3OS2 is 904009-15-0.
What is the molecular formula of C16H21N3OS2?
The molecular formula of C16H21N3OS2 is C16H21N3OS2.
What is the molecular weight of C16H21N3OS2?
The molecular weight of C16H21N3OS2 is 335.11 g/mol.
Where can I buy C16H21N3OS2?
You can request a quote for C16H21N3OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H21N3OS2?
Yes, KEHONG BIO provides custom synthesis services for C16H21N3OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.