C15H21N3O2S2
TL;DR: C15H21N3O2S2 (CAS 904007-55-2) is a chemical compound with molecular formula C15H21N3O2S2 and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethylsulfanyl-11,11-dimethyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-yl)amino]ethanol
Also Known As: 2-((2-(ethylthio)-7,7-dimethyl-7,9-dihydro-6H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4-yl)amino)ethanol, 2-{[2-(ethylsulfanyl)-7,7-dimethyl-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4-yl]amino}ethanol, 2-{[2-(ethylthio)-7,7-dimethyl-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4-yl]amino}ethanol
| Molecular Formula | C15H21N3O2S2 |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 3.0588 |
| Topological Polar Surface Area | 67.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1075 |
| Heavy Atoms | 22 |
| Complexity | 684.96765 |
Chemical Identifiers
| CAS Number | 904007-55-2 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=N1)NCCO)SC3=C2COC(C3)(C)C |
Product Overview
C15H21N3O2S2 (CAS 904007-55-2), with molecular formula C15H21N3O2S2 and molecular weight 339.11 g/mol. IUPAC: 2-[(4-ethylsulfanyl-11,11-dimethyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-yl)amino]ethanol.
Chemical Property Profile of C15H21N3O2S2
Property Insights of C15H21N3O2S2
The XLogP value of 3.0588 indicates that C15H21N3O2S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.27 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H21N3O2S2. Following Lipinski's Rule of Five, C15H21N3O2S2 has 2 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 C15H21N3O2S2?
The CAS number of C15H21N3O2S2 is 904007-55-2.
What is the molecular formula of C15H21N3O2S2?
The molecular formula of C15H21N3O2S2 is C15H21N3O2S2.
What is the molecular weight of C15H21N3O2S2?
The molecular weight of C15H21N3O2S2 is 339.11 g/mol.
Where can I buy C15H21N3O2S2?
You can request a quote for C15H21N3O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H21N3O2S2?
Yes, KEHONG BIO provides custom synthesis services for C15H21N3O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.