C13H16N2OS3
TL;DR: C13H16N2OS3 (CAS 904009-67-2) is a chemical compound with molecular formula C13H16N2OS3 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,11-dimethyl-4,6-bis(methylsulfanyl)-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-2,4-bis(methylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine, 7,7-dimethyl-2,4-bis(methylthio)-7,9-dihydro-6H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C13H16N2OS3 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 3.9864 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04248 |
| Heavy Atoms | 19 |
| Complexity | 636.34033 |
Chemical Identifiers
| CAS Number | 904009-67-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=NC(=N3)SC)SC)C |
Product Overview
C13H16N2OS3 (CAS 904009-67-2), with molecular formula C13H16N2OS3 and molecular weight 312.04 g/mol. IUPAC: 11,11-dimethyl-4,6-bis(methylsulfanyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of C13H16N2OS3
Property Insights of C13H16N2OS3
The XLogP value of 3.9864 indicates that C13H16N2OS3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, C13H16N2OS3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H16N2OS3 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 C13H16N2OS3?
The CAS number of C13H16N2OS3 is 904009-67-2.
What is the molecular formula of C13H16N2OS3?
The molecular formula of C13H16N2OS3 is C13H16N2OS3.
What is the molecular weight of C13H16N2OS3?
The molecular weight of C13H16N2OS3 is 312.04 g/mol.
Where can I buy C13H16N2OS3?
You can request a quote for C13H16N2OS3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H16N2OS3?
Yes, KEHONG BIO provides custom synthesis services for C13H16N2OS3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.