ChemDiv1_006311
TL;DR: ChemDiv1_006311 (CAS 351898-24-3) is a chemical compound with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfanyl-4-(4-methoxyphenyl)-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_006311, AJ-292/13046002, 2-(ethylsulfanyl)-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-ethylsulfanyl-3-(4-methoxyphenyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 5-Ethylsulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C20H22N2O3S2 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 4.4191 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.10718 |
| Heavy Atoms | 27 |
| Complexity | 1051.7594 |
Chemical Identifiers
| CAS Number | 351898-24-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_006311 (CAS 351898-24-3), with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol. IUPAC: 5-ethylsulfanyl-4-(4-methoxyphenyl)-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_006311
Property Insights of ChemDiv1_006311
The XLogP value of 4.4191 indicates that ChemDiv1_006311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, ChemDiv1_006311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006311 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 ChemDiv1_006311?
The CAS number of ChemDiv1_006311 is 351898-24-3.
What is the molecular formula of ChemDiv1_006311?
The molecular formula of ChemDiv1_006311 is C20H22N2O3S2.
What is the molecular weight of ChemDiv1_006311?
The molecular weight of ChemDiv1_006311 is 402.11 g/mol.
Where can I buy ChemDiv1_006311?
You can request a quote for ChemDiv1_006311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006311?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.