ChemDiv1_006267
TL;DR: ChemDiv1_006267 (CAS 351007-09-5) is a chemical compound with molecular formula C22H24N2O5S2 and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-methoxyphenyl)-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
Also Known As: ChemDiv1_006267, BAS 02287890, AJ-292/13049049, ethyl {[3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, ethyl 2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C22H24N2O5S2 |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 3.9623 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.11267 |
| Heavy Atoms | 31 |
| Complexity | 1181.3148 |
Chemical Identifiers
| CAS Number | 351007-09-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_006267 (CAS 351007-09-5), with molecular formula C22H24N2O5S2 and molecular weight 460.11 g/mol. IUPAC: ethyl 2-[[4-(4-methoxyphenyl)-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_006267
Property Insights of ChemDiv1_006267
The XLogP value of 3.9623 indicates that ChemDiv1_006267 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006267. Following Lipinski's Rule of Five, ChemDiv1_006267 has 0 hydrogen bond donor(s) and 8 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_006267?
The CAS number of ChemDiv1_006267 is 351007-09-5.
What is the molecular formula of ChemDiv1_006267?
The molecular formula of ChemDiv1_006267 is C22H24N2O5S2.
What is the molecular weight of ChemDiv1_006267?
The molecular weight of ChemDiv1_006267 is 460.11 g/mol.
Where can I buy ChemDiv1_006267?
You can request a quote for ChemDiv1_006267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006267?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.