ChemDiv1_004427
TL;DR: ChemDiv1_004427 (CAS 312946-36-4) is a chemical compound with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetate
Also Known As: ChemDiv1_004427, BAS 02056013, AE-848/36501039, ethyl [(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, ethyl 2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.5911 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1024.6805 |
Chemical Identifiers
| CAS Number | 312946-36-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=CC=C4 |
Product Overview
ChemDiv1_004427 (CAS 312946-36-4), with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol. IUPAC: ethyl 2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_004427
Property Insights of ChemDiv1_004427
The XLogP value of 3.5911 indicates that ChemDiv1_004427 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_004427. Following Lipinski's Rule of Five, ChemDiv1_004427 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_004427?
The CAS number of ChemDiv1_004427 is 312946-36-4.
What is the molecular formula of ChemDiv1_004427?
The molecular formula of ChemDiv1_004427 is C19H18N2O3S2.
What is the molecular weight of ChemDiv1_004427?
The molecular weight of ChemDiv1_004427 is 386.08 g/mol.
Where can I buy ChemDiv1_004427?
You can request a quote for ChemDiv1_004427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004427?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.