ChemDiv1_005999
TL;DR: ChemDiv1_005999 (CAS 351338-63-1) is a chemical compound with molecular formula C18H24N2O3S2 and molecular weight 380.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Also Known As: ChemDiv1_005999, AJ-292/13489102, ethyl [(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, ethyl 2-((7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, ethyl 2-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
| Molecular Formula | C18H24N2O3S2 |
|---|---|
| Molecular Weight | 380.12 g/mol |
| LogP | 3.7908 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.12283 |
| Heavy Atoms | 25 |
| Complexity | 848.3488 |
Chemical Identifiers
| CAS Number | 351338-63-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1 |
Product Overview
ChemDiv1_005999 (CAS 351338-63-1), with molecular formula C18H24N2O3S2 and molecular weight 380.12 g/mol. IUPAC: ethyl 2-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_005999
Property Insights of ChemDiv1_005999
The XLogP value of 3.7908 indicates that ChemDiv1_005999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005999. Following Lipinski's Rule of Five, ChemDiv1_005999 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_005999?
The CAS number of ChemDiv1_005999 is 351338-63-1.
What is the molecular formula of ChemDiv1_005999?
The molecular formula of ChemDiv1_005999 is C18H24N2O3S2.
What is the molecular weight of ChemDiv1_005999?
The molecular weight of ChemDiv1_005999 is 380.12 g/mol.
Where can I buy ChemDiv1_005999?
You can request a quote for ChemDiv1_005999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005999?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.