A3912/0166419
TL;DR: A3912/0166419 (CAS 672275-42-2) is a chemical compound with molecular formula C17H19N3OS2 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-ethylsulfanyl-4,4,8-trimethyl-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: A3912/0166419, 8-(ethylsulfanyl)-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-(ETHYLTHIO)-2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE, 8-(ethylthio)-2,2,5-trimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C17H19N3OS2 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 4.51122 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.09695 |
| Heavy Atoms | 23 |
| Complexity | 917.2239 |
Chemical Identifiers
| CAS Number | 672275-42-2 |
|---|---|
| SMILES | CCSC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)C |
Product Overview
A3912/0166419 (CAS 672275-42-2), with molecular formula C17H19N3OS2 and molecular weight 345.10 g/mol. IUPAC: 13-ethylsulfanyl-4,4,8-trimethyl-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 A3912/0166419
Property Insights of A3912/0166419
The XLogP value of 4.51122 indicates that A3912/0166419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, A3912/0166419 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3912/0166419 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 A3912/0166419?
The CAS number of A3912/0166419 is 672275-42-2.
What is the molecular formula of A3912/0166419?
The molecular formula of A3912/0166419 is C17H19N3OS2.
What is the molecular weight of A3912/0166419?
The molecular weight of A3912/0166419 is 345.10 g/mol.
Where can I buy A3912/0166419?
You can request a quote for A3912/0166419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3912/0166419?
Yes, KEHONG BIO provides custom synthesis services for A3912/0166419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.