C16H16ClN3OS2
TL;DR: C16H16ClN3OS2 (CAS 836633-96-6) is a chemical compound with molecular formula C16H16ClN3OS2 and molecular weight 365.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-chloro-4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaene
Also Known As: 8-chloro-2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-chloro-2,2,5-trimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C16H16ClN3OS2 |
|---|---|
| Molecular Weight | 365.04 g/mol |
| LogP | 4.77452 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 365.04233 |
| Heavy Atoms | 23 |
| Complexity | 951.78424 |
Chemical Identifiers
| CAS Number | 836633-96-6 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=NC(=N4)SC)Cl)SC3=N1)(C)C |
Product Overview
C16H16ClN3OS2 (CAS 836633-96-6), with molecular formula C16H16ClN3OS2 and molecular weight 365.04 g/mol. IUPAC: 13-chloro-4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaene.
Chemical Property Profile of C16H16ClN3OS2
Property Insights of C16H16ClN3OS2
The XLogP value of 4.77452 indicates that C16H16ClN3OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, C16H16ClN3OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H16ClN3OS2 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 C16H16ClN3OS2?
The CAS number of C16H16ClN3OS2 is 836633-96-6.
What is the molecular formula of C16H16ClN3OS2?
The molecular formula of C16H16ClN3OS2 is C16H16ClN3OS2.
What is the molecular weight of C16H16ClN3OS2?
The molecular weight of C16H16ClN3OS2 is 365.04 g/mol.
Where can I buy C16H16ClN3OS2?
You can request a quote for C16H16ClN3OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H16ClN3OS2?
Yes, KEHONG BIO provides custom synthesis services for C16H16ClN3OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.