AB00097676-01
TL;DR: AB00097676-01 (CAS 314042-11-0) is a chemical compound with molecular formula C17H22N2O2S2 and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfanyl-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AB00097676-01, 2-(ethylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(ethylthio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-ethylsulfanyl-6,6-dimethyl-3-(2-methylprop-2-enyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C17H22N2O2S2 |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 3.9974 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.11227 |
| Heavy Atoms | 23 |
| Complexity | 833.2114 |
Chemical Identifiers
| CAS Number | 314042-11-0 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC(=C)C |
Product Overview
AB00097676-01 (CAS 314042-11-0), with molecular formula C17H22N2O2S2 and molecular weight 350.11 g/mol. IUPAC: 5-ethylsulfanyl-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AB00097676-01
Property Insights of AB00097676-01
The XLogP value of 3.9974 indicates that AB00097676-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, AB00097676-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00097676-01 has 0 hydrogen bond donor(s) and 5 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 AB00097676-01?
The CAS number of AB00097676-01 is 314042-11-0.
What is the molecular formula of AB00097676-01?
The molecular formula of AB00097676-01 is C17H22N2O2S2.
What is the molecular weight of AB00097676-01?
The molecular weight of AB00097676-01 is 350.11 g/mol.
Where can I buy AB00097676-01?
You can request a quote for AB00097676-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097676-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097676-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.