ChemDiv1_007489
TL;DR: ChemDiv1_007489 (CAS 327166-79-0) is a chemical compound with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-ethylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv1_007489, AB00093440-01, AJ-292/11386135, 3-benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-benzyl-2-ethylsulfanyl-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C20H22N2O2S2 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 4.4696 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.11227 |
| Heavy Atoms | 26 |
| Complexity | 1006.06335 |
Chemical Identifiers
| CAS Number | 327166-79-0 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC4=CC=CC=C4 |
Product Overview
ChemDiv1_007489 (CAS 327166-79-0), with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol. IUPAC: 4-benzyl-5-ethylsulfanyl-12,12-dimethyl-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 ChemDiv1_007489
Property Insights of ChemDiv1_007489
The XLogP value of 4.4696 indicates that ChemDiv1_007489 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ChemDiv1_007489 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007489 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 ChemDiv1_007489?
The CAS number of ChemDiv1_007489 is 327166-79-0.
What is the molecular formula of ChemDiv1_007489?
The molecular formula of ChemDiv1_007489 is C20H22N2O2S2.
What is the molecular weight of ChemDiv1_007489?
The molecular weight of ChemDiv1_007489 is 386.11 g/mol.
Where can I buy ChemDiv1_007489?
You can request a quote for ChemDiv1_007489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007489?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.