AB00097674-01
TL;DR: AB00097674-01 (CAS 351440-96-5) is a chemical compound with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
Also Known As: AB00097674-01, AJ-292/37222021, ethyl 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate, ethyl {[3-(2-methyl-2-propenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, ethyl {[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
| Molecular Formula | C18H22N2O3S2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 3.5681 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.10718 |
| Heavy Atoms | 25 |
| Complexity | 882.554 |
Chemical Identifiers
| CAS Number | 351440-96-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC(=C)C |
Product Overview
AB00097674-01 (CAS 351440-96-5), with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol. IUPAC: ethyl 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate.
Chemical Property Profile of AB00097674-01
Property Insights of AB00097674-01
The XLogP value of 3.5681 indicates that AB00097674-01 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 AB00097674-01. Following Lipinski's Rule of Five, AB00097674-01 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 AB00097674-01?
The CAS number of AB00097674-01 is 351440-96-5.
What is the molecular formula of AB00097674-01?
The molecular formula of AB00097674-01 is C18H22N2O3S2.
What is the molecular weight of AB00097674-01?
The molecular weight of AB00097674-01 is 378.11 g/mol.
Where can I buy AB00097674-01?
You can request a quote for AB00097674-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097674-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097674-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.