ChemDiv1_008863
TL;DR: ChemDiv1_008863 (CAS 315710-71-5) is a chemical compound with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: ChemDiv1_008863, AF-399/15335235, 1-(1,3-benzodioxol-5-yl)-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(1,3-benzodioxol-5-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(1,3-BENZODIOXOL-5-YL)-2-[(2-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-YL)SULFANYL]-1-ETHANONE
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.58222 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0759 |
| Heavy Atoms | 27 |
| Complexity | 1061.0518 |
Chemical Identifiers
| CAS Number | 315710-71-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_008863 (CAS 315710-71-5), with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_008863
Property Insights of ChemDiv1_008863
The XLogP value of 4.58222 indicates that ChemDiv1_008863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008863. Following Lipinski's Rule of Five, ChemDiv1_008863 has 0 hydrogen bond donor(s) and 7 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_008863?
The CAS number of ChemDiv1_008863 is 315710-71-5.
What is the molecular formula of ChemDiv1_008863?
The molecular formula of ChemDiv1_008863 is C20H18N2O3S2.
What is the molecular weight of ChemDiv1_008863?
The molecular weight of ChemDiv1_008863 is 398.08 g/mol.
Where can I buy ChemDiv1_008863?
You can request a quote for ChemDiv1_008863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008863?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.