ChemDiv1_003410
TL;DR: ChemDiv1_003410 (CAS 314041-97-9) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-12,12-dimethyl-5-phenacylsulfanyl-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_003410, BIM-0017946.P001, AN-038/37192002, 3-ethyl-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-ethyl-6,6-dimethyl-2-phenacylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 4.3042 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 1100.2765 |
Chemical Identifiers
| CAS Number | 314041-97-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CC(OC4)(C)C |
Product Overview
ChemDiv1_003410 (CAS 314041-97-9), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: 4-ethyl-12,12-dimethyl-5-phenacylsulfanyl-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_003410
Property Insights of ChemDiv1_003410
The XLogP value of 4.3042 indicates that ChemDiv1_003410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003410. Following Lipinski's Rule of Five, ChemDiv1_003410 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_003410?
The CAS number of ChemDiv1_003410 is 314041-97-9.
What is the molecular formula of ChemDiv1_003410?
The molecular formula of ChemDiv1_003410 is C21H22N2O3S2.
What is the molecular weight of ChemDiv1_003410?
The molecular weight of ChemDiv1_003410 is 414.11 g/mol.
Where can I buy ChemDiv1_003410?
You can request a quote for ChemDiv1_003410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003410?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.