ChemDiv1_006223
TL;DR: ChemDiv1_006223 (CAS 346727-52-4) is a chemical compound with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_006223, 2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, 2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C17H21N3O3S2 |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 2.4628 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.10245 |
| Heavy Atoms | 25 |
| Complexity | 927.3415 |
Chemical Identifiers
| CAS Number | 346727-52-4 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CC(OC3)(C)C |
Product Overview
ChemDiv1_006223 (CAS 346727-52-4), with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol. IUPAC: 2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_006223
Property Insights of ChemDiv1_006223
The XLogP value of 2.4628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006223. The TPSA of 87.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006223. Following Lipinski's Rule of Five, ChemDiv1_006223 has 1 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_006223?
The CAS number of ChemDiv1_006223 is 346727-52-4.
What is the molecular formula of ChemDiv1_006223?
The molecular formula of ChemDiv1_006223 is C17H21N3O3S2.
What is the molecular weight of ChemDiv1_006223?
The molecular weight of ChemDiv1_006223 is 379.10 g/mol.
Where can I buy ChemDiv1_006223?
You can request a quote for ChemDiv1_006223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006223?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.