ChemDiv1_009573
TL;DR: ChemDiv1_009573 (CAS 374087-05-5) is a chemical compound with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[12-oxo-11-(2-phenylethyl)-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_009573, AJ-292/40884734, methyl {[4-oxo-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, methyl 2-((4-oxo-3-phenethyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, METHYL 2-[(4-OXO-3-PHENETHYL-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 3.4545 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.09152 |
| Heavy Atoms | 27 |
| Complexity | 1040.8018 |
Chemical Identifiers
| CAS Number | 374087-05-5 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CCC4=CC=CC=C4 |
Product Overview
ChemDiv1_009573 (CAS 374087-05-5), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: methyl 2-[[12-oxo-11-(2-phenylethyl)-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_009573
Property Insights of ChemDiv1_009573
The XLogP value of 3.4545 indicates that ChemDiv1_009573 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_009573. Following Lipinski's Rule of Five, ChemDiv1_009573 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_009573?
The CAS number of ChemDiv1_009573 is 374087-05-5.
What is the molecular formula of ChemDiv1_009573?
The molecular formula of ChemDiv1_009573 is C20H20N2O3S2.
What is the molecular weight of ChemDiv1_009573?
The molecular weight of ChemDiv1_009573 is 400.09 g/mol.
Where can I buy ChemDiv1_009573?
You can request a quote for ChemDiv1_009573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009573?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.